CID 3681029

18368-65-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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 122.1
[M+Na]+ 148.01914 135.7
[M+NH4]+ 143.06374 131.7
[M+K]+ 163.99308 126.9
[M-H]- 124.02264 124.3
[M+Na-2H]- 146.00459 129.2
[M]+ 125.02937 125.1
[M]- 125.03047 125.1
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