CID 23294942

3-oxo-1-phenylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C(=O)CC1(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey
CBTBZTPIJYOBQV-UHFFFAOYSA-N
Compound name
3-oxo-1-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

190.06299 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.0
[M+Na]+ 213.05221 144.4
[M-H]- 189.05571 143.7
[M+NH4]+ 208.09681 152.1
[M+K]+ 229.02615 145.3
[M+H-H2O]+ 173.06025 127.9
[M+HCOO]- 235.06119 158.7
[M+CH3COO]- 249.07684 182.2
[M+Na-2H]- 211.03766 143.5
[M]+ 190.06244 145.5
[M]- 190.06354 145.5
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