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]+ 228.99710 139.3
[M+Na]+ 250.97904 153.5
[M-H]- 226.98254 147.1
[M+NH4]+ 246.02364 156.2
[M+K]+ 266.95298 140.9
[M+H-H2O]+ 210.98708 139.4
[M+HCOO]- 272.98802 160.1
[M+CH3COO]- 287.00367 187.7
[M+Na-2H]- 248.96449 147.8
[M]+ 227.98927 157.0
[M]- 227.99037 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.