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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.1
[M+Na]+ 229.08352 151.0
[M-H]- 205.08702 150.8
[M+NH4]+ 224.12812 165.2
[M+K]+ 245.05746 149.9
[M+H-H2O]+ 189.09156 139.6
[M+HCOO]- 251.09250 165.5
[M+CH3COO]- 265.10815 179.7
[M+Na-2H]- 227.06897 150.2
[M]+ 206.09375 143.5
[M]- 206.09485 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.