CID 156960978

4-methylundecanoylcarnitine

Structural Information

Molecular Formula
C19H38NO4
SMILES
CCCCCCCC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C19H37NO4/c1-6-7-8-9-10-11-16(2)12-13-19(23)24-17(14-18(21)22)15-20(3,4)5/h16-17H,6-15H2,1-5H3/p+1
InChIKey
ATVUXFPVYOVGSN-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-methylundecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2801 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.28738 186.4
[M+Na]+ 367.26932 192.9
[M+NH4]+ 362.31392 175.6
[M+K]+ 383.24326 190.1
[M-H]- 343.27282 184.6
[M+Na-2H]- 365.25477 185.7
[M]+ 344.27955 186.7
[M]- 344.28065 186.7
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.