CID 155822594

2503205-02-3

Structural Information

Molecular Formula
C13H14O3
SMILES
CC1(C(CC1=O)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C13H14O3/c1-13(2)10(7-11(13)14)8-3-5-9(6-4-8)12(15)16/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey
KDUUVUCNBXMKJF-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-3-oxocyclobutyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 148.7
[M+Na]+ 241.08352 156.4
[M+NH4]+ 236.12812 153.5
[M+K]+ 257.05746 151.2
[M-H]- 217.08702 148.1
[M+Na-2H]- 239.06897 153.3
[M]+ 218.09375 148.5
[M]- 218.09485 148.5
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

No patent data available for this compound.