CID 53993702

3-methylcrotonyl l-carnitine

Structural Information

Molecular Formula
C12H22NO4
SMILES
CC(=CC(=O)OC(CC(=O)O)C[N+](C)(C)C)C
InChI
InChI=1S/C12H21NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/p+1
InChIKey
KGPNNIOVWVIXOR-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-methylbut-2-enoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

244.15488 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16216 155.3
[M+Na]+ 267.14410 163.4
[M+NH4]+ 262.18870 160.8
[M+K]+ 283.11804 162.1
[M-H]- 243.14760 153.6
[M+Na-2H]- 265.12955 156.3
[M]+ 244.15433 155.8
[M]- 244.15543 155.8
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

patents stripe