CID 207206

Brn 1996829

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
LUPORYLKHVXGFV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

303.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 177.2
[M+Na]+ 326.20904 187.1
[M+NH4]+ 321.25364 186.4
[M+K]+ 342.18298 177.7
[M-H]- 302.21254 181.6
[M+Na-2H]- 324.19449 184.9
[M]+ 303.21927 179.8
[M]- 303.22037 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe