CID 89704541

4-(1-hydroxycyclobutyl)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC(C1)(C2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C11H12O3/c12-10(13)8-2-4-9(5-3-8)11(14)6-1-7-11/h2-5,14H,1,6-7H2,(H,12,13)
InChIKey
KVACFPHXZSPVAD-UHFFFAOYSA-N
Compound name
4-(1-hydroxycyclobutyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.8
[M+Na]+ 215.06786 146.5
[M-H]- 191.07136 145.0
[M+NH4]+ 210.11246 154.1
[M+K]+ 231.04180 147.0
[M+H-H2O]+ 175.07590 130.8
[M+HCOO]- 237.07684 159.7
[M+CH3COO]- 251.09249 180.6
[M+Na-2H]- 213.05331 145.6
[M]+ 192.07809 147.1
[M]- 192.07919 147.1
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

patents stripe