CID 13463813

3-bromo-4-methylpyridin-2-ol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=C(C(=O)NC=C1)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChIKey
DDRFLSCTQJTMAA-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

186.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 125.9
[M+Na]+ 209.952508 139.4
[M-H]- 185.956014 130.5
[M+NH4]+ 204.997113 147.8
[M+K]+ 225.926448 128.1
[M+H-H2O]+ 169.960550 126.6
[M+HCOO]- 231.961491 146.7
[M+CH3COO]- 245.977141 176.7
[M+Na-2H]- 207.937956 135.0
[M]+ 186.96274142 143.6
[M]- 186.96383858 143.6
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