CID 154853446

2-(2-phenyloxolan-2-yl)acetic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

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

InChI

InChI=1S/C12H14O3/c13-11(14)9-12(7-4-8-15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)

InChIKey

LEDKCTHEOWNCME-UHFFFAOYSA-N

Compound name

2-(2-phenyloxolan-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.0943 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]+	207.101576	145.1
[M+Na]+	229.083518	151.0
[M-H]-	205.087024	150.8
[M+NH4]+	224.128123	165.2
[M+K]+	245.057458	149.9
[M+H-H2O]+	189.091560	139.6
[M+HCOO]-	251.092501	165.5
[M+CH3COO]-	265.108151	179.7
[M+Na-2H]-	227.068966	150.2
[M]+	206.09375142	143.5
[M]-	206.09484858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.