CID 29919415

5-amino-4-methylpyridin-2-ol

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CC(=O)NC=C1N
InChI
InChI=1S/C6H8N2O/c1-4-2-6(9)8-3-5(4)7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
WDVHXXCUHYQXJP-UHFFFAOYSA-N
Compound name
5-amino-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

124.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.8
[M+Na]+ 147.052878 131.5
[M-H]- 123.056384 123.2
[M+NH4]+ 142.097483 142.1
[M+K]+ 163.026818 128.7
[M+H-H2O]+ 107.060920 116.2
[M+HCOO]- 169.061861 145.4
[M+CH3COO]- 183.077511 169.8
[M+Na-2H]- 145.038326 129.0
[M]+ 124.06311142 119.1
[M]- 124.06420858 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe