CID 119850

Brn 1885302

Structural Information

Molecular Formula
C17H22O2
SMILES
COC(=O)C1CCC2=C1C=CC(=C2)C3CCCCC3
InChI
InChI=1S/C17H22O2/c1-19-17(18)16-10-8-14-11-13(7-9-15(14)16)12-5-3-2-4-6-12/h7,9,11-12,16H,2-6,8,10H2,1H3
InChIKey
CPBGSLIVFJMDAK-UHFFFAOYSA-N
Compound name
methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.162 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 162.1
[M+Na]+ 281.15122 166.4
[M-H]- 257.15472 168.5
[M+NH4]+ 276.19582 181.3
[M+K]+ 297.12516 162.9
[M+H-H2O]+ 241.15926 155.2
[M+HCOO]- 303.16020 179.8
[M+CH3COO]- 317.17585 195.6
[M+Na-2H]- 279.13667 162.2
[M]+ 258.16145 158.1
[M]- 258.16255 158.1
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