CID 53417242

3-(aminomethyl)-5-bromopyridin-2-ol hydrochloride

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1=C(C(=O)NC=C1Br)CN
InChI
InChI=1S/C6H7BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKey
MJGBXYARSSULKR-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-bromo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

201.97418 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 131.0
[M+Na]+ 224.963398 143.3
[M-H]- 200.966904 134.8
[M+NH4]+ 220.008003 151.5
[M+K]+ 240.937338 131.2
[M+H-H2O]+ 184.971440 130.6
[M+HCOO]- 246.972381 151.9
[M+CH3COO]- 260.988031 180.6
[M+Na-2H]- 222.948846 139.0
[M]+ 201.97363142 146.8
[M]- 201.97472858 146.8
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

patents stripe