CID 3008015

2-aminoethyl n-benzylcarbamodithioate

Structural Information

Molecular Formula
C10H14N2S2
SMILES
C1=CC=C(C=C1)CNC(=S)SCCN
InChI
InChI=1S/C10H14N2S2/c11-6-7-14-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKey
KCYJUOHKAFKSAL-UHFFFAOYSA-N
Compound name
2-aminoethyl N-benzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.05984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06712 146.3
[M+Na]+ 249.04906 151.9
[M-H]- 225.05256 148.5
[M+NH4]+ 244.09366 164.1
[M+K]+ 265.02300 146.1
[M+H-H2O]+ 209.05710 139.4
[M+HCOO]- 271.05804 159.5
[M+CH3COO]- 285.07369 190.6
[M+Na-2H]- 247.03451 147.4
[M]+ 226.05929 145.3
[M]- 226.06039 145.3
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.