CID 3041568

Benzenebutanoic acid, 4-cyclohexyl-

Structural Information

Molecular Formula
C16H22O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CCCC(=O)O
InChI
InChI=1S/C16H22O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h9-12,14H,1-8H2,(H,17,18)
InChIKey
ZSAFGAFKVCMCIQ-UHFFFAOYSA-N
Compound name
4-(4-cyclohexylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 159.3
[M+Na]+ 269.15121 162.4
[M-H]- 245.15471 163.2
[M+NH4]+ 264.19581 175.3
[M+K]+ 285.12515 158.7
[M+H-H2O]+ 229.15925 152.0
[M+HCOO]- 291.16019 176.8
[M+CH3COO]- 305.17584 191.7
[M+Na-2H]- 267.13666 160.9
[M]+ 246.16144 154.8
[M]- 246.16254 154.8
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

patents stripe