CID 13710129

2chcaa3op

Structural Information

Molecular Formula
C18H26O3
SMILES
CCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC
InChI
InChI=1S/C18H26O3/c1-3-13-20-16-9-11-17(12-10-16)21-18(19)15-7-5-14(4-2)6-8-15/h9-12,14-15H,3-8,13H2,1-2H3
InChIKey
ZFJAXAQBOWQPOC-UHFFFAOYSA-N
Compound name
(4-propoxyphenyl) 4-ethylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.1882 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 171.0
[M+Na]+ 313.17742 174.5
[M-H]- 289.18092 176.3
[M+NH4]+ 308.22202 186.2
[M+K]+ 329.15136 171.9
[M+H-H2O]+ 273.18546 163.0
[M+HCOO]- 335.18640 189.5
[M+CH3COO]- 349.20205 202.8
[M+Na-2H]- 311.16287 171.3
[M]+ 290.18765 170.8
[M]- 290.18875 170.8
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