CID 25019689

4-(cyclohexylmethoxy)benzoic acid

Structural Information

Molecular Formula
C14H18O3
SMILES
C1CCC(CC1)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,15,16)
InChIKey
VVAQLOMOWIACOF-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

234.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 153.2
[M+Na]+ 257.114818 157.1
[M-H]- 233.118324 157.5
[M+NH4]+ 252.159423 169.7
[M+K]+ 273.088758 154.5
[M+H-H2O]+ 217.122860 146.1
[M+HCOO]- 279.123801 171.6
[M+CH3COO]- 293.139451 187.8
[M+Na-2H]- 255.100266 155.9
[M]+ 234.12505142 149.5
[M]- 234.12614858 149.5
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