CID 156961215

19-methylhenicosanoylcarnitine

Structural Information

Molecular Formula
C29H58NO4
SMILES
CCC(C)CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C29H57NO4/c1-6-26(2)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-29(33)34-27(24-28(31)32)25-30(3,4)5/h26-27H,6-25H2,1-5H3/p+1
InChIKey
BSIMPJVRQHQYLL-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(19-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 236.8
[M+Na]+ 507.42580 243.9
[M-H]- 483.42930 231.3
[M+NH4]+ 502.47040 241.7
[M+K]+ 523.39974 242.1
[M+H-H2O]+ 467.43384 231.9
[M+HCOO]- 529.43478 242.4
[M+CH3COO]- 543.45043 241.7
[M+Na-2H]- 505.41125 224.4
[M]+ 484.43603 235.7
[M]- 484.43713 235.7
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.