CID 3017761

2-(boc-amino)ethanethiol

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CC(C)(C)OC(=O)NCCS

InChI

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

InChIKey

GSJJCZSHYJNRPN-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-sulfanylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1876
Patents: 177.08235 Da
Monoisotopic Mass: 1.2
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	141.6
[M+Na]+	200.07157	149.4
[M+NH4]+	195.11617	148.8
[M+K]+	216.04551	143.5
[M-H]-	176.07507	140.4
[M+Na-2H]-	198.05702	143.6
[M]+	177.08180	142.6
[M]-	177.08290	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe