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: 22
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]+	178.089626	139.3
[M+Na]+	200.071568	145.2
[M-H]-	176.075074	139.4
[M+NH4]+	195.116173	159.7
[M+K]+	216.045508	144.2
[M+H-H2O]+	160.079610	133.6
[M+HCOO]-	222.080551	157.8
[M+CH3COO]-	236.096201	181.3
[M+Na-2H]-	198.057016	141.4
[M]+	177.08180142	143.4
[M]-	177.08289858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe