CID 3035257

29075-61-4

Structural Information

Molecular Formula
C22H31NO2
SMILES
CN1CCC(CC1)OC(=O)C2CCC3=C2C=CC(=C3)C4CCCCC4
InChI
InChI=1S/C22H31NO2/c1-23-13-11-19(12-14-23)25-22(24)21-10-8-18-15-17(7-9-20(18)21)16-5-3-2-4-6-16/h7,9,15-16,19,21H,2-6,8,10-14H2,1H3
InChIKey
DSRADALGQABRKM-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.2
[M+Na]+ 364.22469 187.2
[M-H]- 340.22819 192.9
[M+NH4]+ 359.26929 199.9
[M+K]+ 380.19863 182.4
[M+H-H2O]+ 324.23273 176.5
[M+HCOO]- 386.23367 197.7
[M+CH3COO]- 400.24932 193.7
[M+Na-2H]- 362.21014 181.9
[M]+ 341.23492 177.7
[M]- 341.23602 177.7
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

No patent data available for this compound.