CID 35406

30670-17-8

Structural Information

Molecular Formula

C₁₂H₁₅NOS₂

SMILES

CN(C)C(=S)SCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15NOS2/c1-13(2)12(15)16-9-8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

IYKYIBVRBHXXFY-UHFFFAOYSA-N

Compound name

(3-oxo-3-phenylpropyl) N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.05951 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.06679	155.2
[M+Na]+	276.04873	164.9
[M+NH4]+	271.09333	163.7
[M+K]+	292.02267	155.4
[M-H]-	252.05223	157.9
[M+Na-2H]-	274.03418	160.1
[M]+	253.05896	158.2
[M]-	253.06006	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe