CID 347814

2-methoxybenzoic acid, cyclohexyl ester

Structural Information

Molecular Formula
C14H18O3
SMILES
COC1=CC=CC=C1C(=O)OC2CCCCC2
InChI
InChI=1S/C14H18O3/c1-16-13-10-6-5-9-12(13)14(15)17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKey
XHPHUGTZTQAPLM-UHFFFAOYSA-N
Compound name
cyclohexyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

234.1256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 153.0
[M+Na]+ 257.114818 157.4
[M-H]- 233.118324 158.8
[M+NH4]+ 252.159423 170.3
[M+K]+ 273.088758 155.7
[M+H-H2O]+ 217.122860 145.6
[M+HCOO]- 279.123801 173.0
[M+CH3COO]- 293.139451 189.6
[M+Na-2H]- 255.100266 156.2
[M]+ 234.12505142 151.1
[M]- 234.12614858 151.1
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.