CID 312929

1128-00-3

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCOC(=O)C1=C(CCCC1)N

InChI

InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6,10H2,1H3

InChIKey

JBZVWABPSHNPIK-UHFFFAOYSA-N

Compound name

ethyl 2-aminocyclohexene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 169.11028 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]+	170.117556	137.3
[M+Na]+	192.099498	142.8
[M-H]-	168.103004	140.0
[M+NH4]+	187.144103	157.2
[M+K]+	208.073438	141.8
[M+H-H2O]+	152.107540	131.5
[M+HCOO]-	214.108481	159.0
[M+CH3COO]-	228.124131	180.7
[M+Na-2H]-	190.084946	140.8
[M]+	169.10973142	134.4
[M]-	169.11082858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe