CID 59535217

1353979-18-6

Structural Information

Molecular Formula

C₁₁H₂₁NO₂S

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)S

InChI

InChI=1S/C11H21NO2S/c1-11(2,3)14-10(13)12-8-4-6-9(15)7-5-8/h8-9,15H,4-7H2,1-3H3,(H,12,13)

InChIKey

DYBMNZSSIAKCBG-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-sulfanylcyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 231.1293 Da
Monoisotopic Mass: 2.6
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]+	232.13658	154.5
[M+Na]+	254.11852	162.2
[M+NH4]+	249.16312	162.3
[M+K]+	270.09246	155.9
[M-H]-	230.12202	155.6
[M+Na-2H]-	252.10397	157.3
[M]+	231.12875	156.2
[M]-	231.12985	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe