CID 68291681

4-(3-hydroxyoxetan-3-yl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

C1C(CO1)(C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C10H10O4/c11-9(12)7-1-3-8(4-2-7)10(13)5-14-6-10/h1-4,13H,5-6H2,(H,11,12)

InChIKey

YCQNBUUXBNUQHS-UHFFFAOYSA-N

Compound name

4-(3-hydroxyoxetan-3-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.0579 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.06518	139.4
[M+Na]+	217.04712	146.3
[M+NH4]+	212.09172	144.0
[M+K]+	233.02106	142.6
[M-H]-	193.05062	139.3
[M+Na-2H]-	215.03257	143.8
[M]+	194.05735	139.2
[M]-	194.05845	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe