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: 14
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]+	232.136576	154.2
[M+Na]+	254.118518	158.2
[M-H]-	230.122024	156.9
[M+NH4]+	249.163123	172.5
[M+K]+	270.092458	156.7
[M+H-H2O]+	214.126560	148.5
[M+HCOO]-	276.127501	167.5
[M+CH3COO]-	290.143151	190.6
[M+Na-2H]-	252.103966	154.7
[M]+	231.12875142	153.2
[M]-	231.12984858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe