CID 134160350

Acylcarnitine c24:0

Structural Information

Molecular Formula
C31H62NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C31H61NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h29H,5-28H2,1-4H3/p+1
InChIKey
YDUFZFUYBBPVLJ-UHFFFAOYSA-O
Compound name
(3-carboxy-2-tetracosanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

512.4679 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.47518 245.2
[M+Na]+ 535.45712 251.4
[M-H]- 511.46062 237.5
[M+NH4]+ 530.50172 248.4
[M+K]+ 551.43106 249.9
[M+H-H2O]+ 495.46516 239.4
[M+HCOO]- 557.46610 252.4
[M+CH3COO]- 571.48175 246.8
[M+Na-2H]- 533.44257 231.2
[M]+ 512.46735 243.8
[M]- 512.46845 243.8
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.