CID 4297321

5-methylpyridine-2(1h)-thione

Structural Information

Molecular Formula
C6H7NS
SMILES
CC1=CNC(=S)C=C1
InChI
InChI=1S/C6H7NS/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey
IYKXPOCKTZADOH-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

125.02992 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03720 119.8
[M+Na]+ 148.01914 129.7
[M-H]- 124.02264 121.6
[M+NH4]+ 143.06374 141.1
[M+K]+ 163.99308 126.0
[M+H-H2O]+ 108.02718 114.7
[M+HCOO]- 170.02812 137.5
[M+CH3COO]- 184.04377 166.4
[M+Na-2H]- 146.00459 125.0
[M]+ 125.02937 119.1
[M]- 125.03047 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

No literature data available for this compound.

Patent stripe

patents stripe