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 167.8
[M+Na]+ 298.17776 170.1
[M-H]- 274.18126 172.8
[M+NH4]+ 293.22236 184.8
[M+K]+ 314.15170 167.3
[M+H-H2O]+ 258.18580 160.0
[M+HCOO]- 320.18674 187.5
[M+CH3COO]- 334.20239 199.9
[M+Na-2H]- 296.16321 171.4
[M]+ 275.18799 164.6
[M]- 275.18909 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.