CID 18650082

149423-77-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)

InChIKey

JQVBZZUMWRXDSQ-UHFFFAOYSA-N

Compound name

benzyl N-(4-aminocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
Patents: 248.15248 Da
Monoisotopic Mass: 1.8
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]+	249.15976	157.4
[M+Na]+	271.14170	160.1
[M-H]-	247.14520	162.4
[M+NH4]+	266.18630	173.2
[M+K]+	287.11564	157.5
[M+H-H2O]+	231.14974	149.4
[M+HCOO]-	293.15068	178.5
[M+CH3COO]-	307.16633	196.3
[M+Na-2H]-	269.12715	160.3
[M]+	248.15193	151.5
[M]-	248.15303	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe