CID 23073578

2-(methylsulfanyl)pyridin-4-ol

Structural Information

Molecular Formula
C6H7NOS
SMILES
CSC1=CC(=O)C=CN1
InChI
InChI=1S/C6H7NOS/c1-9-6-4-5(8)2-3-7-6/h2-4H,1H3,(H,7,8)
InChIKey
UDOJBJDWMCKREP-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

141.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 123.6
[M+Na]+ 164.01406 133.4
[M-H]- 140.01756 125.3
[M+NH4]+ 159.05866 144.1
[M+K]+ 179.98800 130.0
[M+H-H2O]+ 124.02210 118.1
[M+HCOO]- 186.02304 141.5
[M+CH3COO]- 200.03869 168.4
[M+Na-2H]- 161.99951 128.7
[M]+ 141.02429 124.3
[M]- 141.02539 124.3
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