CID 3032783

22635-88-7

Structural Information

Molecular Formula
C12H17NS2
SMILES
CCSC(=S)NC(C)CC1=CC=CC=C1
InChI
InChI=1S/C12H17NS2/c1-3-15-12(14)13-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKey
DQSALELMHJSILT-UHFFFAOYSA-N
Compound name
ethyl N-(1-phenylpropan-2-yl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08025 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08753 152.0
[M+Na]+ 262.06947 161.9
[M+NH4]+ 257.11407 161.1
[M+K]+ 278.04341 151.5
[M-H]- 238.07297 155.2
[M+Na-2H]- 260.05492 157.1
[M]+ 239.07970 155.2
[M]- 239.08080 155.2
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.