CID 3056672

Cyclopentanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H33NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2CCCCC2
InChI
InChI=1S/C18H33NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h16H,3-15H2,1-2H3
InChIKey
NMOWZORGXGDCAW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.25113 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 177.9
[M+Na]+ 318.24035 184.0
[M+NH4]+ 313.28495 186.8
[M+K]+ 334.21429 177.6
[M-H]- 294.24385 180.9
[M+Na-2H]- 316.22580 182.1
[M]+ 295.25058 179.3
[M]- 295.25168 179.3
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.