CID 2807454

92303-09-8

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CC1=CC=C(C(=O)N1)C(=S)N
InChI
InChI=1S/C7H8N2OS/c1-4-2-3-5(6(8)11)7(10)9-4/h2-3H,1H3,(H2,8,11)(H,9,10)
InChIKey
FOBPPQORLVORNB-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1H-pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

168.03574 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.043016 132.0
[M+Na]+ 191.024958 141.3
[M-H]- 167.028464 133.3
[M+NH4]+ 186.069563 150.8
[M+K]+ 206.998898 136.9
[M+H-H2O]+ 151.033000 126.2
[M+HCOO]- 213.033941 148.9
[M+CH3COO]- 227.049591 176.8
[M+Na-2H]- 189.010406 134.2
[M]+ 168.03519142 130.3
[M]- 168.03628858 130.3
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