CID 156961235

10-methylhenicosanoylcarnitine

Structural Information

Molecular Formula
C29H58NO4
SMILES
CCCCCCCCCCCC(C)CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C29H57NO4/c1-6-7-8-9-10-11-12-15-18-21-26(2)22-19-16-13-14-17-20-23-29(33)34-27(24-28(31)32)25-30(3,4)5/h26-27H,6-25H2,1-5H3/p+1
InChIKey
SVKVYCZEGICZKW-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(10-methylhenicosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.43658 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.44386 236.0
[M+Na]+ 507.42580 240.1
[M+NH4]+ 502.47040 209.9
[M+K]+ 523.39974 204.5
[M-H]- 483.42930 197.2
[M+Na-2H]- 505.41125 226.2
[M]+ 484.43603 235.8
[M]- 484.43713 235.8
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.