CID 156961039

4-methyltetradecanoylcarnitine

Structural Information

Molecular Formula
C22H44NO4
SMILES
CCCCCCCCCCC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C22H43NO4/c1-6-7-8-9-10-11-12-13-14-19(2)15-16-22(26)27-20(17-21(24)25)18-23(3,4)5/h19-20H,6-18H2,1-5H3/p+1
InChIKey
GAANNDFPHQBFBS-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-methyltetradecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.32703 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.33431 199.3
[M+Na]+ 409.31625 205.1
[M+NH4]+ 404.36085 186.0
[M+K]+ 425.29019 221.5
[M-H]- 385.31975 197.3
[M+Na-2H]- 407.30170 197.8
[M]+ 386.32648 199.4
[M]- 386.32758 199.4
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.