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 159.3
[M+Na]+ 271.13047 163.4
[M-H]- 247.13397 164.2
[M+NH4]+ 266.17507 171.0
[M+K]+ 287.10441 164.4
[M+H-H2O]+ 231.13851 148.4
[M+HCOO]- 293.13945 177.4
[M+CH3COO]- 307.15510 195.6
[M+Na-2H]- 269.11592 161.2
[M]+ 248.14070 168.2
[M]- 248.14180 168.2
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.