CID 20028969

Butyl n-(2-sulfanylethyl)carbamate

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CCCCOC(=O)NCCS

InChI

InChI=1S/C7H15NO2S/c1-2-3-5-10-7(9)8-4-6-11/h11H,2-6H2,1H3,(H,8,9)

InChIKey

VQQKHKBHESABFS-UHFFFAOYSA-N

Compound name

butyl N-(2-sulfanylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 177.08235 Da
Monoisotopic Mass: 1.5
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]+	178.08963	140.0
[M+Na]+	200.07157	148.1
[M+NH4]+	195.11617	147.4
[M+K]+	216.04551	141.1
[M-H]-	176.07507	139.5
[M+Na-2H]-	198.05702	142.1
[M]+	177.08180	141.1
[M]-	177.08290	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe