CID 138039848

3-(3-hydroxyoxetan-3-yl)benzoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1C(CO1)(C2=CC=CC(=C2)C(=O)O)O
InChI
InChI=1S/C10H10O4/c11-9(12)7-2-1-3-8(4-7)10(13)5-14-6-10/h1-4,13H,5-6H2,(H,11,12)
InChIKey
BXTVJSAGISIPMZ-UHFFFAOYSA-N
Compound name
3-(3-hydroxyoxetan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.0
[M+Na]+ 217.04712 142.9
[M-H]- 193.05062 142.0
[M+NH4]+ 212.09172 148.9
[M+K]+ 233.02106 145.4
[M+H-H2O]+ 177.05516 126.9
[M+HCOO]- 239.05610 155.6
[M+CH3COO]- 253.07175 179.8
[M+Na-2H]- 215.03257 143.5
[M]+ 194.05735 145.0
[M]- 194.05845 145.0
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.