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]+ 291.195476 171.0
[M+Na]+ 313.177418 174.5
[M-H]- 289.180924 176.3
[M+NH4]+ 308.222023 186.2
[M+K]+ 329.151358 171.9
[M+H-H2O]+ 273.185460 163.0
[M+HCOO]- 335.186401 189.5
[M+CH3COO]- 349.202051 202.8
[M+Na-2H]- 311.162866 171.3
[M]+ 290.18765142 170.8
[M]- 290.18874858 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