CID 3003318

4-ethylsulfanyl-n-methyl-benzenecarbothioamide

Structural Information

Molecular Formula
C10H13NS2
SMILES
CCSC1=CC=C(C=C1)C(=S)NC
InChI
InChI=1S/C10H13NS2/c1-3-13-9-6-4-8(5-7-9)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
LXPDMIAQZXQJLR-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-N-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.04893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05621 142.3
[M+Na]+ 234.03815 149.5
[M-H]- 210.04165 145.6
[M+NH4]+ 229.08275 161.6
[M+K]+ 250.01209 144.4
[M+H-H2O]+ 194.04619 136.1
[M+HCOO]- 256.04713 155.2
[M+CH3COO]- 270.06278 188.2
[M+Na-2H]- 232.02360 143.0
[M]+ 211.04838 143.5
[M]- 211.04948 143.5
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

No patent data available for this compound.