CID 73293298

1258849-38-5

Structural Information

Molecular Formula

SMILES

C1CNC(=O)C(=C1)Br

InChI

InChI=1S/C5H6BrNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8)

InChIKey

XLMBRTWEFHUWRU-UHFFFAOYSA-N

Compound name

5-bromo-2,3-dihydro-1H-pyridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 174.96329 Da
Monoisotopic Mass: 1.0
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]+	175.97057	126.3
[M+Na]+	197.95251	137.4
[M-H]-	173.95601	130.0
[M+NH4]+	192.99711	148.1
[M+K]+	213.92645	126.7
[M+H-H2O]+	157.96055	126.9
[M+HCOO]-	219.96149	144.7
[M+CH3COO]-	233.97714	173.4
[M+Na-2H]-	195.93796	134.6
[M]+	174.96274	140.6
[M]-	174.96384	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe