CID 22273209

850787-22-3

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCOC(=O)NC1CCC(CC1)N

InChI

InChI=1S/C9H18N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h7-8H,2-6,10H2,1H3,(H,11,12)

InChIKey

PVKQEBBQETXXLU-UHFFFAOYSA-N

Compound name

ethyl N-(4-aminocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 186.13683 Da
Monoisotopic Mass: 0.7
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]+	187.14411	142.8
[M+Na]+	209.12605	146.4
[M-H]-	185.12955	145.0
[M+NH4]+	204.17065	161.5
[M+K]+	225.09999	145.6
[M+H-H2O]+	169.13409	136.4
[M+HCOO]-	231.13503	164.0
[M+CH3COO]-	245.15068	185.5
[M+Na-2H]-	207.11150	145.5
[M]+	186.13628	137.5
[M]-	186.13738	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe