CID 199518

4339-96-2

Structural Information

Molecular Formula
C16H23NO2
SMILES
CN(C)CCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey
VZAZOXVEMAUMLH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.4
[M+Na]+ 284.16210 173.8
[M+NH4]+ 279.20670 173.9
[M+K]+ 300.13604 167.2
[M-H]- 260.16560 168.1
[M+Na-2H]- 282.14755 171.9
[M]+ 261.17233 166.7
[M]- 261.17343 166.7
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

No patent data available for this compound.