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

0
Patents

272.17764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 166.7
[M+Na]+ 295.16686 170.6
[M-H]- 271.17036 172.9
[M+NH4]+ 290.21146 185.4
[M+K]+ 311.14080 166.8
[M+H-H2O]+ 255.17490 159.6
[M+HCOO]- 317.17584 184.1
[M+CH3COO]- 331.19149 198.6
[M+Na-2H]- 293.15231 166.3
[M]+ 272.17709 163.1
[M]- 272.17819 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