CID 82667995

5-methylpyridine-3-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.04082 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe