PubChemLite - Pg(i-12:0/a-17:0) (C35H69O10P)

Structural Information

Molecular Formula

SMILES

CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O

InChI

InChI=1S/C35H69O10P/c1-5-31(4)23-19-15-10-8-6-7-9-11-17-21-25-35(39)45-33(29-44-46(40,41)43-27-32(37)26-36)28-42-34(38)24-20-16-13-12-14-18-22-30(2)3/h30-33,36-37H,5-29H2,1-4H3,(H,40,41)/t31?,32-,33+/m0/s1

InChIKey

BUPAYLXSPQQVRZ-ADIDXWPESA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 14-methylhexadecanoate

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]+	681.47008	266.8
[M+Na]+	703.45202	267.3
[M-H]-	679.45552	261.7
[M+NH4]+	698.49662	274.5
[M+K]+	719.42596	270.1
[M+H-H2O]+	663.46006	258.1
[M+HCOO]-	725.46100	259.6
[M+CH3COO]-	739.47665	271.2
[M+Na-2H]-	701.43747	247.0
[M]+	680.46225	265.9
[M]-	680.46335	265.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

681.47008

266.8

[M+Na]+

703.45202

267.3

[M-H]-

679.45552

261.7

[M+NH4]+

698.49662

274.5

[M+K]+

719.42596

270.1

[M+H-H2O]+

663.46006

258.1

[M+HCOO]-

725.46100

259.6

[M+CH3COO]-

739.47665

271.2

[M+Na-2H]-

701.43747

247.0

[M]+

680.46225

265.9

[M]-

680.46335

265.9

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

Pg(i-12:0/a-17:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe