PubChemLite - Lecithin, 12mo deriv. (C34H69NO10P)

Structural Information

Molecular Formula

SMILES

C[N+](C)(C)CCOP(=O)(O)OC[C@H](COC(=O)CCCCCCCCCCCOC)OC(=O)CCCCCCCCCCCOC

InChI

InChI=1S/C34H68NO10P/c1-35(2,3)26-29-43-46(38,39)44-31-32(45-34(37)25-21-17-13-9-7-11-15-19-23-28-41-5)30-42-33(36)24-20-16-12-8-6-10-14-18-22-27-40-4/h32H,6-31H2,1-5H3/p+1/t32-/m0/s1

InChIKey

YRALPODMPYELLT-YTTGMZPUSA-O

Compound name

2-[[(2S)-2,3-bis(12-methoxydodecanoyloxy)propoxy]-hydroxyphosphoryl]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]+	683.47318	269.3
[M+Na]+	705.45512	270.9
[M-H]-	681.45862	266.5
[M+NH4]+	700.49972	278.9
[M+K]+	721.42906	270.5
[M+H-H2O]+	665.46316	255.4
[M+HCOO]-	727.46410	276.5
[M+CH3COO]-	741.47975	270.8
[M+Na-2H]-	703.44057	250.0
[M]+	682.46535	268.5
[M]-	682.46645	268.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.47318

269.3

[M+Na]+

705.45512

270.9

[M-H]-

681.45862

266.5

[M+NH4]+

700.49972

278.9

[M+K]+

721.42906

270.5

[M+H-H2O]+

665.46316

255.4

[M+HCOO]-

727.46410

276.5

[M+CH3COO]-

741.47975

270.8

[M+Na-2H]-

703.44057

250.0

[M]+

682.46535

268.5

[M]-

682.46645

268.5

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

Lecithin, 12mo deriv.

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe