CID 14207185

1-[(2-chlorophenyl)methoxy]-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC1(CN(C1=O)OCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-14(11(12)15)16-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

InChIKey

ZNTBTPJHUYEBPT-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methoxy]-3,3-dimethylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 239.0713 Da
Monoisotopic Mass: 2.5
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]+	240.078576	144.7
[M+Na]+	262.060518	154.1
[M-H]-	238.064024	150.3
[M+NH4]+	257.105123	158.1
[M+K]+	278.034458	153.0
[M+H-H2O]+	222.068560	134.5
[M+HCOO]-	284.069501	161.6
[M+CH3COO]-	298.085151	194.1
[M+Na-2H]-	260.045966	150.0
[M]+	239.07075142	157.4
[M]-	239.07184858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe