1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) (C36H69O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](CO)O

InChI

InChI=1S/C36H69O10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-35(39)43-31-34(32-45-47(41,42)44-30-33(38)29-37)46-36(40)28-26-24-22-19-12-10-8-6-4-2/h15-16,33-34,37-38H,3-14,17-32H2,1-2H3,(H,41,42)/b16-15-/t33-,34+/m0/s1

InChIKey

NJBICDZLLUNWQC-WYRVCTHCSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] (Z)-octadec-9-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	693.470076	268.8
[M+Na]+	715.452018	268.7
[M-H]-	691.455524	261.2
[M+NH4]+	710.496623	273.7
[M+K]+	731.425958	270.4
[M+H-H2O]+	675.460060	259.0
[M+HCOO]-	737.461001	266.9
[M+CH3COO]-	751.476651	271.3
[M+Na-2H]-	713.437466	247.7
[M]+	692.46225142	267.1
[M]-	692.46334858	267.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

693.470076

268.8

[M+Na]+

715.452018

268.7

[M-H]-

691.455524

261.2

[M+NH4]+

710.496623

273.7

[M+K]+

731.425958

270.4

[M+H-H2O]+

675.460060

259.0

[M+HCOO]-

737.461001

266.9

[M+CH3COO]-

751.476651

271.3

[M+Na-2H]-

713.437466

247.7

[M]+

692.46225142

267.1

[M]-

692.46334858

267.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe