CID 91620366

134464-53-2

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CC(C)(C)OC(=O)N(C)CCS

InChI

InChI=1S/C8H17NO2S/c1-8(2,3)11-7(10)9(4)5-6-12/h12H,5-6H2,1-4H3

InChIKey

JEWPGNLVKRCNBX-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(2-sulfanylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 191.098 Da
Monoisotopic Mass: 1.4
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]+	192.10528	145.8
[M+Na]+	214.08722	153.7
[M+NH4]+	209.13182	153.1
[M+K]+	230.06116	148.1
[M-H]-	190.09072	145.0
[M+Na-2H]-	212.07267	147.9
[M]+	191.09745	147.0
[M]-	191.09855	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe