CID 3032710

19457-14-8

Structural Information

Molecular Formula
C13H17NS2
SMILES
CC(CC1=CC=CC=C1)NC(=S)SCC=C
InChI
InChI=1S/C13H17NS2/c1-3-9-16-13(15)14-11(2)10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H,14,15)
InChIKey
VNNOYOLNBYOFKM-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(1-phenylpropan-2-yl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08025 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08753 155.5
[M+Na]+ 274.06947 160.7
[M-H]- 250.07297 158.1
[M+NH4]+ 269.11407 172.9
[M+K]+ 290.04341 154.8
[M+H-H2O]+ 234.07751 148.7
[M+HCOO]- 296.07845 166.7
[M+CH3COO]- 310.09410 195.2
[M+Na-2H]- 272.05492 154.5
[M]+ 251.07970 156.1
[M]- 251.08080 156.1
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.