CID 156961459

3-methyloctanedioylcarnitine

Structural Information

Molecular Formula
C16H30NO6
SMILES
CC(CCCCC(=O)O)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C16H29NO6/c1-12(7-5-6-8-14(18)19)9-16(22)23-13(10-15(20)21)11-17(2,3)4/h12-13H,5-11H2,1-4H3,(H-,18,19,20,21)/p+1
InChIKey
VATVHKBSOGPRRU-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(7-carboxy-3-methylheptanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21458 176.8
[M+Na]+ 355.19652 182.0
[M+NH4]+ 350.24112 167.5
[M+K]+ 371.17046 182.2
[M-H]- 331.20002 173.0
[M+Na-2H]- 353.18197 175.0
[M]+ 332.20675 176.0
[M]- 332.20785 176.0
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.