CID 161862

4-(4-cyclohexylphenyl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C16H20O3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCC(=O)O
InChI
InChI=1S/C16H20O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,19)
InChIKey
QFDYKCAHHQKPSB-UHFFFAOYSA-N
Compound name
4-(4-cyclohexylphenyl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.14124 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 161.8
[M+Na]+ 283.13046 172.4
[M+NH4]+ 278.17506 169.1
[M+K]+ 299.10440 166.3
[M-H]- 259.13396 164.4
[M+Na-2H]- 281.11591 167.3
[M]+ 260.14069 163.8
[M]- 260.14179 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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