CID 21436674

6-amino-5-methylpyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

124.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.7
[M+Na]+ 147.052878 132.0
[M-H]- 123.056384 124.0
[M+NH4]+ 142.097483 143.0
[M+K]+ 163.026818 129.9
[M+H-H2O]+ 107.060920 117.0
[M+HCOO]- 169.061861 146.1
[M+CH3COO]- 183.077511 170.7
[M+Na-2H]- 145.038326 129.9
[M]+ 124.06311142 120.6
[M]- 124.06420858 120.6
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