CID 63107320

1-cyclohexanecarbonylazetidin-3-ol

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCC(CC1)C(=O)N2CC(C2)O

InChI

InChI=1S/C10H17NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h8-9,12H,1-7H2

InChIKey

LIGNHJBQQXUQMB-UHFFFAOYSA-N

Compound name

cyclohexyl-(3-hydroxyazetidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 Da
Monoisotopic Mass: 1.0
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]+	184.13321	139.3
[M+Na]+	206.11515	142.1
[M-H]-	182.11865	142.0
[M+NH4]+	201.15975	150.3
[M+K]+	222.08909	143.7
[M+H-H2O]+	166.12319	127.4
[M+HCOO]-	228.12413	154.4
[M+CH3COO]-	242.13978	181.6
[M+Na-2H]-	204.10060	141.4
[M]+	183.12538	141.6
[M]-	183.12648	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe