CID 156960994

3-methyldodecanoylcarnitine

Structural Information

Molecular Formula
C20H40NO4
SMILES
CCCCCCCCCC(C)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C20H39NO4/c1-6-7-8-9-10-11-12-13-17(2)14-20(24)25-18(15-19(22)23)16-21(3,4)5/h17-18H,6-16H2,1-5H3/p+1
InChIKey
NTZXPWQJOMNSKU-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-methyldodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.29575 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.30303 190.7
[M+Na]+ 381.28497 197.0
[M+NH4]+ 376.32957 179.1
[M+K]+ 397.25891 194.0
[M-H]- 357.28847 188.8
[M+Na-2H]- 379.27042 189.7
[M]+ 358.29520 190.9
[M]- 358.29630 190.9
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.