CID 156962563

3-butenylcarnitine

Structural Information

Molecular Formula
C11H20NO4
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CC=C
InChI
InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5,9H,1,6-8H2,2-4H3/p+1
InChIKey
CJETZUCGLDWPGF-UHFFFAOYSA-O
Compound name
(2-but-3-enoyloxy-3-carboxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13924 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14652 151.1
[M+Na]+ 253.12846 159.7
[M+NH4]+ 248.17306 156.9
[M+K]+ 269.10240 157.8
[M-H]- 229.13196 149.6
[M+Na-2H]- 251.11391 152.7
[M]+ 230.13869 151.8
[M]- 230.13979 151.8
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

No patent data available for this compound.