CID 19838751

O-succinylcarnitine

Structural Information

Molecular Formula
C11H20NO6
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCC(=O)O
InChI
InChI=1S/C11H19NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h8H,4-7H2,1-3H3,(H-,13,14,15,16)/p+1
InChIKey
HAEVNYBCYZZDFL-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-carboxypropanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

175
Patents

262.12906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.136336 155.4
[M+Na]+ 285.118278 159.3
[M-H]- 261.121784 154.1
[M+NH4]+ 280.162883 170.7
[M+K]+ 301.092218 154.7
[M+H-H2O]+ 245.126320 153.1
[M+HCOO]- 307.127261 173.2
[M+CH3COO]- 321.142911 189.3
[M+Na-2H]- 283.103726 158.8
[M]+ 262.12851142 157.3
[M]- 262.12960858 157.3
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.