CID 12522

Succinamic acid

Structural Information

Molecular Formula
C4H7NO3
SMILES
C(CC(=O)O)C(=O)N
InChI
InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKey
JDVPQXZIJDEHAN-UHFFFAOYSA-N
Compound name
4-amino-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

13437
Patents

117.042595 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 121.6
[M+Na]+ 140.031813 128.4
[M-H]- 116.035319 120.3
[M+NH4]+ 135.076418 142.6
[M+K]+ 156.005753 128.4
[M+H-H2O]+ 100.039855 117.0
[M+HCOO]- 162.040796 144.0
[M+CH3COO]- 176.056446 168.5
[M+Na-2H]- 138.017261 125.7
[M]+ 117.04204642 119.9
[M]- 117.04314358 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe