CID 86263381

3-(tetrahydrofuran-2-yl)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC(OC1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1,3-4,7,10H,2,5-6H2,(H,12,13)
InChIKey
HFYGWGFPVSMDAA-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.9
[M+Na]+ 215.06786 152.1
[M+NH4]+ 210.11246 149.1
[M+K]+ 231.04180 148.9
[M-H]- 191.07136 144.7
[M+Na-2H]- 213.05331 146.6
[M]+ 192.07809 143.4
[M]- 192.07919 143.4
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.