CID 3532286

18085-36-4

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

COC(=O)C1CCN1C2CCCCC2

InChI

InChI=1S/C11H19NO2/c1-14-11(13)10-7-8-12(10)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3

InChIKey

FCZVWSJTPLJYSO-UHFFFAOYSA-N

Compound name

methyl 1-cyclohexylazetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 197.14159 Da
Monoisotopic Mass: 2.2
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]+	198.14887	142.3
[M+Na]+	220.13081	145.1
[M-H]-	196.13431	146.2
[M+NH4]+	215.17541	153.5
[M+K]+	236.10475	147.4
[M+H-H2O]+	180.13885	130.1
[M+HCOO]-	242.13979	158.6
[M+CH3COO]-	256.15544	187.1
[M+Na-2H]-	218.11626	144.4
[M]+	197.14104	146.8
[M]-	197.14214	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe