CID 11096325

129686-16-4

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

C1CC(=O)NC2=C1C=C(C=N2)Br

InChI

InChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)

InChIKey

VJEOGGNIBLORIJ-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 317
Patents: 225.97418 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]+	226.98146	139.6
[M+Na]+	248.96340	143.5
[M+NH4]+	244.00800	144.5
[M+K]+	264.93734	143.2
[M-H]-	224.96690	139.4
[M+Na-2H]-	246.94885	142.5
[M]+	225.97363	138.8
[M]-	225.97473	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe