CID 300728

Tert-butyl n-cyclohexylcarbamate

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC(C)(C)OC(=O)NC1CCCCC1

InChI

InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)

InChIKey

DNSTUAQHBFISRZ-UHFFFAOYSA-N

Compound name

tert-butyl N-cyclohexylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 614
Patents: 199.15723 Da
Monoisotopic Mass: 2.7
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]+	200.16451	147.8
[M+Na]+	222.14645	155.8
[M+NH4]+	217.19105	155.3
[M+K]+	238.12039	151.2
[M-H]-	198.14995	148.7
[M+Na-2H]-	220.13190	151.5
[M]+	199.15668	148.9
[M]-	199.15778	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe