CID 22494211

334017-95-7

Structural Information

Molecular Formula
C7H8N2S
SMILES
CC1=C(N=CC=C1)C(=S)N
InChI
InChI=1S/C7H8N2S/c1-5-3-2-4-9-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKey
PEENLLJOQZUCDN-UHFFFAOYSA-N
Compound name
3-methylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

152.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 129.8
[M+Na]+ 175.03004 141.8
[M+NH4]+ 170.07464 138.8
[M+K]+ 191.00398 134.0
[M-H]- 151.03354 132.3
[M+Na-2H]- 173.01549 136.3
[M]+ 152.04027 132.6
[M]- 152.04137 132.6
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