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

65
Patents

234.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 153.2
[M+Na]+ 257.11482 157.1
[M-H]- 233.11832 157.5
[M+NH4]+ 252.15942 169.7
[M+K]+ 273.08876 154.5
[M+H-H2O]+ 217.12286 146.1
[M+HCOO]- 279.12380 171.6
[M+CH3COO]- 293.13945 187.8
[M+Na-2H]- 255.10027 155.9
[M]+ 234.12505 149.5
[M]- 234.12615 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