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

217
Patents

262.12906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13634 155.4
[M+Na]+ 285.11828 159.3
[M-H]- 261.12178 154.1
[M+NH4]+ 280.16288 170.7
[M+K]+ 301.09222 154.7
[M+H-H2O]+ 245.12632 153.1
[M+HCOO]- 307.12726 173.2
[M+CH3COO]- 321.14291 189.3
[M+Na-2H]- 283.10373 158.8
[M]+ 262.12851 157.3
[M]- 262.12961 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.