CID 3032780

22623-50-3

Structural Information

Molecular Formula
C12H15NS2
SMILES
CC(C1=CC=CC=C1)NC(=S)SCC=C
InChI
InChI=1S/C12H15NS2/c1-3-9-15-12(14)13-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKey
KQYRTTOYEHEKCD-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(1-phenylethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06459 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07187 151.9
[M+Na]+ 260.05381 161.8
[M+NH4]+ 255.09841 160.7
[M+K]+ 276.02775 151.3
[M-H]- 236.05731 154.8
[M+Na-2H]- 258.03926 156.9
[M]+ 237.06404 154.9
[M]- 237.06514 154.9
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.