CID 83481980

Schembl17027050

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C(CN1C2=CC=CC=C2)C(=O)O

InChI

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

InChIKey

WKVHIIIASLJOLP-UHFFFAOYSA-N

Compound name

1-phenylazetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 177.07898 Da
Monoisotopic Mass: 1.4
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]+	178.08626	136.3
[M+Na]+	200.06820	144.0
[M+NH4]+	195.11280	140.2
[M+K]+	216.04214	140.5
[M-H]-	176.07170	135.6
[M+Na-2H]-	198.05365	140.7
[M]+	177.07843	135.8
[M]-	177.07953	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe