CID 156962486

[3-carboxy-2-(2-hydroxydocosanoyloxy)propyl]-trimethylazanium

Structural Information

Molecular Formula
C29H58NO5
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C29H57NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(31)29(34)35-26(24-28(32)33)25-30(2,3)4/h26-27,31H,5-25H2,1-4H3/p+1
InChIKey
QVDHNULOBQKSAU-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-hydroxydocosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.4315 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.43878 237.3
[M+Na]+ 523.42072 242.8
[M-H]- 499.42422 232.0
[M+NH4]+ 518.46532 240.6
[M+K]+ 539.39466 241.0
[M+H-H2O]+ 483.42876 231.3
[M+HCOO]- 545.42970 241.1
[M+CH3COO]- 559.44535 240.9
[M+Na-2H]- 521.40617 223.8
[M]+ 500.43095 234.8
[M]- 500.43205 234.8
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.