CID 3034385

Ethyl butyldithiocarbamate

Structural Information

Molecular Formula

C₇H₁₅NS₂

SMILES

CCCCNC(=S)SCC

InChI

InChI=1S/C7H15NS2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)

InChIKey

WGMRJSBTYSJRKK-UHFFFAOYSA-N

Compound name

ethyl N-butylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 177.06459 Da
Monoisotopic Mass: 2.7
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]+	178.07187	136.8
[M+Na]+	200.05381	142.7
[M-H]-	176.05731	136.6
[M+NH4]+	195.09841	157.2
[M+K]+	216.02775	139.1
[M+H-H2O]+	160.06185	131.0
[M+HCOO]-	222.06279	148.5
[M+CH3COO]-	236.07844	182.4
[M+Na-2H]-	198.03926	136.4
[M]+	177.06404	138.6
[M]-	177.06514	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe