CID 95183

1541-19-1

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)NC1CCCCC1

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)

InChIKey

ZAVUHLXZFYNAMG-UHFFFAOYSA-N

Compound name

ethyl N-cyclohexylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 889
Patents: 171.12593 Da
Monoisotopic Mass: 2.1
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]+	172.133206	139.3
[M+Na]+	194.115148	142.8
[M-H]-	170.118654	141.7
[M+NH4]+	189.159753	159.0
[M+K]+	210.089088	142.4
[M+H-H2O]+	154.123190	133.2
[M+HCOO]-	216.124131	160.1
[M+CH3COO]-	230.139781	179.9
[M+Na-2H]-	192.100596	143.5
[M]+	171.12538142	135.4
[M]-	171.12647858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe