CID 101365300

Chebi:134601

Structural Information

Molecular Formula
C31H61NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC=O
InChI
InChI=1S/C31H60NO9P/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/h25,29H,5-24,26-28H2,1-4H3/p+1/t29-/m1/s1
InChIKey
ZFFOCRIWYYAJIJ-GDLZYMKVSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-(7-oxoheptanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.4084 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.41568 253.0
[M+Na]+ 645.39762 256.2
[M-H]- 621.40112 251.4
[M+NH4]+ 640.44222 262.2
[M+K]+ 661.37156 254.3
[M+H-H2O]+ 605.40566 239.4
[M+HCOO]- 667.40660 262.3
[M+CH3COO]- 681.42225 260.0
[M+Na-2H]- 643.38307 235.9
[M]+ 622.40785 251.4
[M]- 622.40895 251.4
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.