CID 3000562

2-methylpyridine-4-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

152.04082 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.7
[M+Na]+ 175.03004 137.4
[M-H]- 151.03354 131.1
[M+NH4]+ 170.07464 148.8
[M+K]+ 191.00398 134.2
[M+H-H2O]+ 135.03808 122.6
[M+HCOO]- 197.03902 146.8
[M+CH3COO]- 211.05467 176.9
[M+Na-2H]- 173.01549 132.1
[M]+ 152.04027 127.8
[M]- 152.04137 127.8
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