CID 145864750

Chebi:145783

Structural Information

Molecular Formula
C17H35NO8P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C17H34NO8P/c1-18(2,3)11-13-24-27(22,23)25-15-16(14-20)26-17(21)10-8-6-4-5-7-9-12-19/h12,16,20H,4-11,13-15H2,1-3H3/p+1/t16-/m1/s1
InChIKey
ZOTBEPCAAHROHR-MRXNPFEDSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.21002 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21730 200.3
[M+Na]+ 435.19924 204.8
[M-H]- 411.20274 200.7
[M+NH4]+ 430.24384 205.2
[M+K]+ 451.17318 197.1
[M+H-H2O]+ 395.20728 186.7
[M+HCOO]- 457.20822 215.6
[M+CH3COO]- 471.22387 216.8
[M+Na-2H]- 433.18469 188.3
[M]+ 412.20947 197.6
[M]- 412.21057 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.