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]+ 228.99710 139.5
[M+Na]+ 250.97904 150.8
[M-H]- 226.98254 141.4
[M+NH4]+ 246.02364 158.5
[M+K]+ 266.95298 138.2
[M+H-H2O]+ 210.98708 139.4
[M+HCOO]- 272.98802 154.1
[M+CH3COO]- 287.00367 152.9
[M+Na-2H]- 248.96449 148.0
[M]+ 227.98927 152.9
[M]- 227.99037 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.