CID 3009100

2-methylsulfanylpyridine-4-carbothioamide

Structural Information

Molecular Formula
C7H8N2S2
SMILES
CSC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C7H8N2S2/c1-11-6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
InChIKey
ANTHEPBQVFKTKK-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0129 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02018 133.4
[M+Na]+ 207.00212 142.0
[M-H]- 183.00562 135.3
[M+NH4]+ 202.04672 152.2
[M+K]+ 222.97606 137.0
[M+H-H2O]+ 167.01016 127.2
[M+HCOO]- 229.01110 145.5
[M+CH3COO]- 243.02675 181.9
[M+Na-2H]- 204.98757 134.5
[M]+ 184.01235 133.2
[M]- 184.01345 133.2
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

No patent data available for this compound.