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

22
Patents

194.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.0
[M+Na]+ 217.047118 142.9
[M-H]- 193.050624 142.0
[M+NH4]+ 212.091723 148.9
[M+K]+ 233.021058 145.4
[M+H-H2O]+ 177.055160 126.9
[M+HCOO]- 239.056101 155.6
[M+CH3COO]- 253.071751 179.8
[M+Na-2H]- 215.032566 143.5
[M]+ 194.05735142 145.0
[M]- 194.05844858 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

patents stripe