CID 10988214

97628-92-7

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

C1C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H13NO4/c14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)

InChIKey

PVJPBKZGIUAESY-UHFFFAOYSA-N

Compound name

1-phenylmethoxycarbonylazetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 369
Patents: 235.08446 Da
Monoisotopic Mass: 0.9
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]+	236.09174	152.5
[M+Na]+	258.07368	158.5
[M+NH4]+	253.11828	154.6
[M+K]+	274.04762	156.3
[M-H]-	234.07718	150.3
[M+Na-2H]-	256.05913	154.9
[M]+	235.08391	151.2
[M]-	235.08501	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe