CID 100706260

2-furancarboxylic acid, tetrahydro-5-phenyl-, (2r,5s)-rel-

Structural Information

Molecular Formula
C11H12O3
SMILES
C1C[C@@H](O[C@@H]1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m0/s1
InChIKey
QWXMVYUZNXKAKD-VHSXEESVSA-N
Compound name
(2R,5S)-5-phenyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.0
[M+Na]+ 215.067858 146.3
[M-H]- 191.071364 145.9
[M+NH4]+ 210.112463 158.9
[M+K]+ 231.041798 145.2
[M+H-H2O]+ 175.075900 134.3
[M+HCOO]- 237.076841 160.8
[M+CH3COO]- 251.092491 178.2
[M+Na-2H]- 213.053306 143.8
[M]+ 192.07809142 138.1
[M]- 192.07918858 138.1
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.