CID 129962717

3-(1-aminocyclopropyl)-5-bromopyridin-2-ol hydrochloride

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C1CC1(C2=CC(=CNC2=O)Br)N
InChI
InChI=1S/C8H9BrN2O/c9-5-3-6(7(12)11-4-5)8(10)1-2-8/h3-4H,1-2,10H2,(H,11,12)
InChIKey
CFKWGBWDHBHQHN-UHFFFAOYSA-N
Compound name
3-(1-aminocyclopropyl)-5-bromo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98982 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 139.3
[M+Na]+ 250.979038 153.5
[M-H]- 226.982544 147.1
[M+NH4]+ 246.023643 156.2
[M+K]+ 266.952978 140.9
[M+H-H2O]+ 210.987080 139.4
[M+HCOO]- 272.988021 160.1
[M+CH3COO]- 287.003671 187.7
[M+Na-2H]- 248.964486 147.8
[M]+ 227.98927142 157.0
[M]- 227.99036858 157.0
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.