CID 83671053

3-phenyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1COCC1(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-10(13)11(6-7-14-8-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
QJPWHDBOZHKOQE-UHFFFAOYSA-N
Compound name
3-phenyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe