CID 12150520

158980-44-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1[C@H]([C@@H](N1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c12-10(13)9-8(6-11-9)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9+/m0/s1

InChIKey

CCKKROBXZIZREN-DTWKUNHWSA-N

Compound name

(2R,3R)-3-phenylazetidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 177.07898 Da
Monoisotopic Mass: -1.3
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	137.3
[M+Na]+	200.06820	144.5
[M+NH4]+	195.11280	140.9
[M+K]+	216.04214	141.3
[M-H]-	176.07170	136.2
[M+Na-2H]-	198.05365	141.1
[M]+	177.07843	136.6
[M]-	177.07953	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe