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 177.8
[M+Na]+ 318.24035 177.6
[M-H]- 294.24385 183.2
[M+NH4]+ 313.28495 196.2
[M+K]+ 334.21429 176.4
[M+H-H2O]+ 278.24839 170.4
[M+HCOO]- 340.24933 195.4
[M+CH3COO]- 354.26498 207.0
[M+Na-2H]- 316.22580 175.7
[M]+ 295.25058 174.0
[M]- 295.25168 174.0
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.