CID 28937803

1-[4-(2-methylpropoxy)phenyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)COC1=CC=C(C=C1)C2(CCC2)C(=O)O
InChI
InChI=1S/C15H20O3/c1-11(2)10-18-13-6-4-12(5-7-13)15(14(16)17)8-3-9-15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKey
DCJXHNFATQSUPH-UHFFFAOYSA-N
Compound name
1-[4-(2-methylpropoxy)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 159.2
[M+Na]+ 271.13047 165.4
[M+NH4]+ 266.17507 163.8
[M+K]+ 287.10441 160.1
[M-H]- 247.13397 158.4
[M+Na-2H]- 269.11592 163.3
[M]+ 248.14070 158.7
[M]- 248.14180 158.7
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.