CID 65988249

2059910-49-3

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1=CC=C(C=C1)C2(CC(C2)O)C(=O)O
InChI
InChI=1S/C12H14O3/c1-8-2-4-9(5-3-8)12(11(14)15)6-10(13)7-12/h2-5,10,13H,6-7H2,1H3,(H,14,15)
InChIKey
RADYEHCFMKMXFU-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(4-methylphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.1
[M+Na]+ 229.08352 151.2
[M-H]- 205.08702 149.5
[M+NH4]+ 224.12812 158.2
[M+K]+ 245.05746 151.6
[M+H-H2O]+ 189.09156 135.1
[M+HCOO]- 251.09250 163.6
[M+CH3COO]- 265.10815 184.7
[M+Na-2H]- 227.06897 148.7
[M]+ 206.09375 152.1
[M]- 206.09485 152.1
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.