CID 3063719

Cyclohexanecarboxylic acid, 1-phenyl-, 2-(ethylamino)ethyl ester

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCNCCOC(=O)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-2-18-13-14-20-16(19)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,18H,2,4,7-8,11-14H2,1H3
InChIKey
UMRPMWWGIZWIEO-UHFFFAOYSA-N
Compound name
2-(ethylamino)ethyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.8
[M+Na]+ 298.177758 170.1
[M-H]- 274.181264 172.8
[M+NH4]+ 293.222363 184.8
[M+K]+ 314.151698 167.3
[M+H-H2O]+ 258.185800 160.0
[M+HCOO]- 320.186741 187.5
[M+CH3COO]- 334.202391 199.9
[M+Na-2H]- 296.163206 171.4
[M]+ 275.18799142 164.6
[M]- 275.18908858 164.6
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.