CID 119870

29197-04-4

Structural Information

Molecular Formula
C18H24O2
SMILES
CCOC(=O)C1CCC2=C1C=CC(=C2)C3CCCCC3
InChI
InChI=1S/C18H24O2/c1-2-20-18(19)17-11-9-15-12-14(8-10-16(15)17)13-6-4-3-5-7-13/h8,10,12-13,17H,2-7,9,11H2,1H3
InChIKey
VTPPDOFJOMOKRD-UHFFFAOYSA-N
Compound name
ethyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.17764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 166.7
[M+Na]+ 295.166858 170.6
[M-H]- 271.170364 172.9
[M+NH4]+ 290.211463 185.4
[M+K]+ 311.140798 166.8
[M+H-H2O]+ 255.174900 159.6
[M+HCOO]- 317.175841 184.1
[M+CH3COO]- 331.191491 198.6
[M+Na-2H]- 293.152306 166.3
[M]+ 272.17709142 163.1
[M]- 272.17818858 163.1
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

patents stripe