CID 697037

N-pyridin-3-yl-succinamic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC(=CN=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKey
CRCDHMGBWOILNF-UHFFFAOYSA-N
Compound name
4-oxo-4-(pyridin-3-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

194.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 141.3
[M+Na]+ 217.05836 151.1
[M+NH4]+ 212.10296 147.2
[M+K]+ 233.03230 147.0
[M-H]- 193.06186 141.0
[M+Na-2H]- 215.04381 146.3
[M]+ 194.06859 142.1
[M]- 194.06969 142.1
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