CID 697037

N-(3-pyridyl)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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.07642	140.5
[M+Na]+	217.05836	146.5
[M-H]-	193.06186	141.2
[M+NH4]+	212.10296	157.1
[M+K]+	233.03230	144.8
[M+H-H2O]+	177.06640	133.4
[M+HCOO]-	239.06734	162.3
[M+CH3COO]-	253.08299	181.7
[M+Na-2H]-	215.04381	146.1
[M]+	194.06859	139.7
[M]-	194.06969	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe