CID 2977517

669704-13-6

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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

InChIKey

HQDKLCORJIEXRD-UHFFFAOYSA-N

Compound name

3-(oxolane-2-carbonylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 235.08446 Da
Monoisotopic Mass: 1.0
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	152.3
[M+Na]+	258.07368	161.0
[M+NH4]+	253.11828	158.7
[M+K]+	274.04762	159.3
[M-H]-	234.07718	155.2
[M+Na-2H]-	256.05913	156.3
[M]+	235.08391	153.8
[M]-	235.08501	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.