CID 16277

1-methylpyridine-2-thione

Structural Information

Molecular Formula
C6H7NS
SMILES
CN1C=CC=CC1=S
InChI
InChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
UHOAUPKGWPQNDM-UHFFFAOYSA-N
Compound name
1-methylpyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

125.02992 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03720 121.8
[M+Na]+ 148.01914 136.1
[M+NH4]+ 143.06374 131.8
[M+K]+ 163.99308 126.9
[M-H]- 124.02264 124.6
[M+Na-2H]- 146.00459 129.6
[M]+ 125.02937 125.2
[M]- 125.03047 125.2
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