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

17
Patents

190.06299 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.0
[M+Na]+ 213.052208 144.4
[M-H]- 189.055714 143.7
[M+NH4]+ 208.096813 152.1
[M+K]+ 229.026148 145.3
[M+H-H2O]+ 173.060250 127.9
[M+HCOO]- 235.061191 158.7
[M+CH3COO]- 249.076841 182.2
[M+Na-2H]- 211.037656 143.5
[M]+ 190.06244142 145.5
[M]- 190.06353858 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