CID 138289406

Tricosanoylcarnitine

Structural Information

Molecular Formula
C30H60NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C30H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-28(26-29(32)33)27-31(2,3)4/h28H,5-27H2,1-4H3/p+1
InChIKey
WMGNVECUKWPFJX-UHFFFAOYSA-O
Compound name
(3-carboxy-2-tricosanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.45224 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.45952 241.7
[M+Na]+ 521.44146 248.0
[M-H]- 497.44496 234.3
[M+NH4]+ 516.48606 244.9
[M+K]+ 537.41540 246.1
[M+H-H2O]+ 481.44950 236.0
[M+HCOO]- 543.45044 249.2
[M+CH3COO]- 557.46609 243.9
[M+Na-2H]- 519.42691 228.1
[M]+ 498.45169 240.3
[M]- 498.45279 240.3
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.