CID 53417242

2248328-00-7

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

C1=C(C(=O)NC=C1Br)CN

InChI

InChI=1S/C6H7BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)

InChIKey

MJGBXYARSSULKR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 201.97418 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]+	202.98146	133.7
[M+Na]+	224.96340	136.7
[M+NH4]+	220.00800	137.9
[M+K]+	240.93734	137.3
[M-H]-	200.96690	133.7
[M+Na-2H]-	222.94885	137.0
[M]+	201.97363	132.8
[M]-	201.97473	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe