CID 18467999

19679-84-6

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

InChI=1S/C11H12O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)

InChIKey

XYCFRUQFTPLHSD-UHFFFAOYSA-N

Compound name

2-phenyloxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
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]+	193.085916	140.5
[M+Na]+	215.067858	146.8
[M-H]-	191.071364	146.4
[M+NH4]+	210.112463	161.1
[M+K]+	231.041798	145.9
[M+H-H2O]+	175.075900	135.2
[M+HCOO]-	237.076841	161.2
[M+CH3COO]-	251.092491	176.7
[M+Na-2H]-	213.053306	146.1
[M]+	192.07809142	138.5
[M]-	192.07918858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe