CID 15770871

54364-19-1

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=CC(=S)NC(=C1)C
InChI
InChI=1S/C7H9NS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChIKey
ZVANSRULPRVUSG-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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

literature stripe

Patent stripe

patents stripe