CID 135563692

Chebi:142748

Structural Information

Molecular Formula
C31H63NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCO
InChI
InChI=1S/C31H62NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30(34)38-27-29(41-31(35)23-20-17-18-21-25-33)28-40-42(36,37)39-26-24-32(2,3)4/h29,33H,5-28H2,1-4H3/p+1/t29-/m1/s1
InChIKey
GOMSHNWPVLAKPE-GDLZYMKVSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-(7-hydroxyheptanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.4241 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.43138 253.5
[M+Na]+ 647.41332 255.2
[M-H]- 623.41682 250.7
[M+NH4]+ 642.45792 260.1
[M+K]+ 663.38726 253.7
[M+H-H2O]+ 607.42136 238.7
[M+HCOO]- 669.42230 260.4
[M+CH3COO]- 683.43795 258.6
[M+Na-2H]- 645.39877 235.3
[M]+ 624.42355 250.8
[M]- 624.42465 250.8
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.