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

11
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 128.7
[M+Na]+ 175.030038 137.4
[M-H]- 151.033544 131.1
[M+NH4]+ 170.074643 148.8
[M+K]+ 191.003978 134.2
[M+H-H2O]+ 135.038080 122.6
[M+HCOO]- 197.039021 146.8
[M+CH3COO]- 211.054671 176.9
[M+Na-2H]- 173.015486 132.1
[M]+ 152.04027142 127.8
[M]- 152.04136858 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