CID 156963011

2-propylpent-4-enoylcarnitine

Structural Information

Molecular Formula
C15H28NO4
SMILES
CCCC(CC=C)C(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C15H27NO4/c1-6-8-12(9-7-2)15(19)20-13(10-14(17)18)11-16(3,4)5/h6,12-13H,1,7-11H2,2-5H3/p+1
InChIKey
HXTIZJCRYDMSQY-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-propylpent-4-enoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.20184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20912 168.2
[M+Na]+ 309.19106 175.5
[M+NH4]+ 304.23566 173.1
[M+K]+ 325.16500 173.6
[M-H]- 285.19456 166.3
[M+Na-2H]- 307.17651 168.4
[M]+ 286.20129 168.5
[M]- 286.20239 168.5
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.