CID 213714

1-(4-cyclohexylphenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C17H22O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3(CCC3)C(=O)O
InChI
InChI=1S/C17H22O2/c18-16(19)17(11-4-12-17)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h7-10,13H,1-6,11-12H2,(H,18,19)
InChIKey
ZAAXQLBYZCFIRA-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 159.7
[M+Na]+ 281.15122 161.9
[M-H]- 257.15472 166.6
[M+NH4]+ 276.19582 170.5
[M+K]+ 297.12516 161.5
[M+H-H2O]+ 241.15926 147.6
[M+HCOO]- 303.16020 175.2
[M+CH3COO]- 317.17585 195.6
[M+Na-2H]- 279.13667 161.5
[M]+ 258.16145 161.8
[M]- 258.16255 161.8
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.