CID 11543110

Cyanomethyl methyl(phenyl)carbamodithioate

Structural Information

Molecular Formula

C₁₀H₁₀N₂S₂

SMILES

CN(C1=CC=CC=C1)C(=S)SCC#N

InChI

InChI=1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3

InChIKey

FYACMHCOSCVNHO-UHFFFAOYSA-N

Compound name

cyanomethyl N-methyl-N-phenylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 688
Patents: 222.02853 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]+	223.03581	155.7
[M+Na]+	245.01775	164.8
[M-H]-	221.02125	160.8
[M+NH4]+	240.06235	173.3
[M+K]+	260.99169	161.3
[M+H-H2O]+	205.02579	142.9
[M+HCOO]-	267.02673	166.1
[M+CH3COO]-	281.04238	202.2
[M+Na-2H]-	243.00320	156.1
[M]+	222.02798	152.8
[M]-	222.02908	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe