CID 3052842

Brn 3413529

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H29NO3/c1-4-20(5-2)14-15-23-18(21)19(12-6-7-13-19)16-8-10-17(22-3)11-9-16/h8-11H,4-7,12-15H2,1-3H3
InChIKey
HLPQETWZWSGYAU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(4-methoxyphenyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.7
[M+Na]+ 342.20397 188.3
[M+NH4]+ 337.24857 188.1
[M+K]+ 358.17791 181.9
[M-H]- 318.20747 182.8
[M+Na-2H]- 340.18942 185.9
[M]+ 319.21420 181.7
[M]- 319.21530 181.7
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.