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

32
Patents

201.97418 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 131.0
[M+Na]+ 224.96340 143.3
[M-H]- 200.96690 134.8
[M+NH4]+ 220.00800 151.5
[M+K]+ 240.93734 131.2
[M+H-H2O]+ 184.97144 130.6
[M+HCOO]- 246.97238 151.9
[M+CH3COO]- 260.98803 180.6
[M+Na-2H]- 222.94885 139.0
[M]+ 201.97363 146.8
[M]- 201.97473 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