CID 66222821

1432754-58-9

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

C1=C(C(=O)NC=C1Cl)CN

InChI

InChI=1S/C6H7ClN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)

InChIKey

DLXRPFXKWWTZRT-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-5-chloro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.02469 Da
Monoisotopic Mass: 0.0
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]+	159.03197	127.2
[M+Na]+	181.01391	140.5
[M+NH4]+	176.05851	135.4
[M+K]+	196.98785	134.3
[M-H]-	157.01741	128.7
[M+Na-2H]-	178.99936	134.0
[M]+	158.02414	129.6
[M]-	158.02524	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.