CID 86263381

1780978-54-2

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 140.0
[M+Na]+ 215.06786 146.3
[M-H]- 191.07136 145.9
[M+NH4]+ 210.11246 158.9
[M+K]+ 231.04180 145.2
[M+H-H2O]+ 175.07590 134.3
[M+HCOO]- 237.07684 160.8
[M+CH3COO]- 251.09249 178.2
[M+Na-2H]- 213.05331 143.8
[M]+ 192.07809 138.1
[M]- 192.07919 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.