CID 121232641

Chebi:145780

Structural Information

Molecular Formula
C17H35NO9P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C17H34NO9P/c1-18(2,3)11-12-25-28(23,24)26-14-15(13-19)27-17(22)10-8-6-4-5-7-9-16(20)21/h15,19H,4-14H2,1-3H3,(H-,20,21,23,24)/p+1/t15-/m1/s1
InChIKey
WVKDDHFUHISZRK-OAHLLOKOSA-O
Compound name
2-[[(2R)-2-(8-carboxyoctanoyloxy)-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.20496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21224 200.9
[M+Na]+ 451.19418 204.3
[M-H]- 427.19768 202.8
[M+NH4]+ 446.23878 205.6
[M+K]+ 467.16812 197.1
[M+H-H2O]+ 411.20222 186.7
[M+HCOO]- 473.20316 211.9
[M+CH3COO]- 487.21881 217.2
[M+Na-2H]- 449.17963 188.4
[M]+ 428.20441 197.2
[M]- 428.20551 197.2
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.