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

2
Patents

139.04558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.052856 123.7
[M+Na]+ 162.034798 134.1
[M-H]- 138.038304 125.7
[M+NH4]+ 157.079403 144.7
[M+K]+ 178.008738 130.1
[M+H-H2O]+ 122.042840 118.6
[M+HCOO]- 184.043781 141.1
[M+CH3COO]- 198.059431 170.6
[M+Na-2H]- 160.020246 127.7
[M]+ 139.04503142 123.8
[M]- 139.04612858 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