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]+ 276.19582 169.0
[M+Na]+ 298.17776 179.2
[M+NH4]+ 293.22236 178.4
[M+K]+ 314.15170 169.7
[M-H]- 274.18126 173.2
[M+Na-2H]- 296.16321 177.0
[M]+ 275.18799 171.6
[M]- 275.18909 171.6
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.