CID 20352194

1-benzoylazetidin-3-ol

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C(CN1C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C10H11NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

MQPNDHHRMVRTCE-UHFFFAOYSA-N

Compound name

(3-hydroxyazetidin-1-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 177.07898 Da
Monoisotopic Mass: 0.5
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]+	178.086256	134.9
[M+Na]+	200.068198	140.8
[M-H]-	176.071704	138.8
[M+NH4]+	195.112803	146.4
[M+K]+	216.042138	141.7
[M+H-H2O]+	160.076240	122.9
[M+HCOO]-	222.077181	154.3
[M+CH3COO]-	236.092831	180.5
[M+Na-2H]-	198.053646	139.9
[M]+	177.07843142	141.4
[M]-	177.07952858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe