PubChemLite - Pc(18:0/11:1(10e)) (C37H73NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC=C

InChI

InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-24-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-23-15-13-11-9-7-2/h7,35H,2,6,8-34H2,1,3-5H3/p+1/t35-/m1/s1

InChIKey

CPPUJMJNWVHMDJ-PGUFJCEWSA-O

Compound name

2-[hydroxy-[(2R)-3-octadecanoyloxy-2-undec-10-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

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]+	691.51468	270.3
[M+Na]+	713.49662	273.0
[M-H]-	689.50012	265.8
[M+NH4]+	708.54122	278.6
[M+K]+	729.47056	273.7
[M+H-H2O]+	673.50466	255.9
[M+HCOO]-	735.50560	277.3
[M+CH3COO]-	749.52125	274.8
[M+Na-2H]-	711.48207	251.1
[M]+	690.50685	268.4
[M]-	690.50795	268.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

691.51468

270.3

[M+Na]+

713.49662

273.0

[M-H]-

689.50012

265.8

[M+NH4]+

708.54122

278.6

[M+K]+

729.47056

273.7

[M+H-H2O]+

673.50466

255.9

[M+HCOO]-

735.50560

277.3

[M+CH3COO]-

749.52125

274.8

[M+Na-2H]-

711.48207

251.1

[M]+

690.50685

268.4

[M]-

690.50795

268.4

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

Pc(18:0/11:1(10e))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe