CID 137930756

2253640-42-3

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC1=C(C=C(C(=O)N1)Br)N

InChI

InChI=1S/C6H7BrN2O/c1-3-5(8)2-4(7)6(10)9-3/h2H,8H2,1H3,(H,9,10)

InChIKey

ILCUPZGVOPXVHF-UHFFFAOYSA-N

Compound name

5-amino-3-bromo-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.97418 Da
Monoisotopic Mass: 0.5
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	133.4
[M+Na]+	224.96340	136.8
[M+NH4]+	220.00800	137.7
[M+K]+	240.93734	137.5
[M-H]-	200.96690	133.4
[M+Na-2H]-	222.94885	136.5
[M]+	201.97363	132.6
[M]-	201.97473	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe