CID 132353937

3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridin-4-ol hydrochloride

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C1CNCC2=C1NC=C(C2=O)Br
InChI
InChI=1S/C8H9BrN2O/c9-6-4-11-7-1-2-10-3-5(7)8(6)12/h4,10H,1-3H2,(H,11,12)
InChIKey
GPAQGRIPYSSKQA-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98982 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 139.5
[M+Na]+ 250.979038 150.8
[M-H]- 226.982544 141.4
[M+NH4]+ 246.023643 158.5
[M+K]+ 266.952978 138.2
[M+H-H2O]+ 210.987080 139.4
[M+HCOO]- 272.988021 154.1
[M+CH3COO]- 287.003671 152.9
[M+Na-2H]- 248.964486 148.0
[M]+ 227.98927142 152.9
[M]- 227.99036858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.