CID 18731626

142274-34-8

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=CC(=CNC1=S)C
InChI
InChI=1S/C7H9NS/c1-5-3-6(2)7(9)8-4-5/h3-4H,1-2H3,(H,8,9)
InChIKey
BHBRPUREBKACHW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

139.04558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 123.7
[M+Na]+ 162.03480 134.1
[M-H]- 138.03830 125.7
[M+NH4]+ 157.07940 144.7
[M+K]+ 178.00874 130.1
[M+H-H2O]+ 122.04284 118.6
[M+HCOO]- 184.04378 141.1
[M+CH3COO]- 198.05943 170.6
[M+Na-2H]- 160.02025 127.7
[M]+ 139.04503 123.8
[M]- 139.04613 123.8
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