CID 156961313

6-methyltricosanoylcarnitine

Structural Information

Molecular Formula
C31H62NO4
SMILES
CCCCCCCCCCCCCCCCCC(C)CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C31H61NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(2)24-21-22-25-31(35)36-29(26-30(33)34)27-32(3,4)5/h28-29H,6-27H2,1-5H3/p+1
InChIKey
SIEMQXFHMZEAOT-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-methyltricosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4679 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.47518 243.2
[M+Na]+ 535.45712 246.9
[M+NH4]+ 530.50172 216.6
[M+K]+ 551.43106 211.4
[M-H]- 511.46062 203.4
[M+Na-2H]- 533.44257 232.7
[M]+ 512.46735 242.8
[M]- 512.46845 242.8
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.