CID 165752814

1875912-28-9

Structural Information

Molecular Formula
C11H12O5
SMILES
C1C(C(CO1)OC2=CC=CC(=C2)C(=O)O)O
InChI
InChI=1S/C11H12O5/c12-9-5-15-6-10(9)16-8-3-1-2-7(4-8)11(13)14/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKey
SGPWISSZWHGMTH-UHFFFAOYSA-N
Compound name
3-(4-hydroxyoxolan-3-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06847 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 145.5
[M+Na]+ 247.057688 152.0
[M-H]- 223.061194 150.4
[M+NH4]+ 242.102293 162.5
[M+K]+ 263.031628 151.2
[M+H-H2O]+ 207.065730 139.8
[M+HCOO]- 269.066671 165.1
[M+CH3COO]- 283.082321 181.4
[M+Na-2H]- 245.043136 148.4
[M]+ 224.06792142 145.1
[M]- 224.06901858 145.1
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.