CID 69710

4-methoxy-2-methyl-5-(methylsulfanyl)pyridin-3-ol

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC1=NC=C(C(=C1O)OC)SC
InChI
InChI=1S/C8H11NO2S/c1-5-7(10)8(11-2)6(12-3)4-9-5/h4,10H,1-3H3
InChIKey
PZTHSDYEYQLIDM-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-methylsulfanylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.05106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 135.7
[M+Na]+ 208.04028 145.9
[M-H]- 184.04378 137.7
[M+NH4]+ 203.08488 154.9
[M+K]+ 224.01422 143.1
[M+H-H2O]+ 168.04832 130.0
[M+HCOO]- 230.04926 152.9
[M+CH3COO]- 244.06491 179.6
[M+Na-2H]- 206.02573 138.5
[M]+ 185.05051 140.0
[M]- 185.05161 140.0
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