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 211.3
[M+Na]+ 409.31625 219.7
[M-H]- 385.31975 208.4
[M+NH4]+ 404.36085 216.5
[M+K]+ 425.29019 215.1
[M+H-H2O]+ 369.32429 199.2
[M+HCOO]- 431.32523 219.8
[M+CH3COO]- 445.34088 221.4
[M+Na-2H]- 407.30170 201.0
[M]+ 386.32648 211.0
[M]- 386.32758 211.0
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.