CID 3038019

10197-24-7

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CC(C)NC(=S)C(=S)NC1=CC=CC=C1
InChI
InChI=1S/C11H14N2S2/c1-8(2)12-10(14)11(15)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)(H,13,15)
InChIKey
VFLUBTRZDABTOE-UHFFFAOYSA-N
Compound name
N-phenyl-N'-propan-2-ylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.067116 151.6
[M+Na]+ 261.049058 156.3
[M-H]- 237.052564 154.2
[M+NH4]+ 256.093663 168.9
[M+K]+ 277.022998 151.1
[M+H-H2O]+ 221.057100 144.7
[M+HCOO]- 283.058041 163.0
[M+CH3COO]- 297.073691 194.3
[M+Na-2H]- 259.034506 151.1
[M]+ 238.05929142 150.0
[M]- 238.06038858 150.0
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.