CID 3051030

67239-10-5

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCN(CC)CCOC(=O)C(CC1=CC=CC=C1)C2CCC=C2
InChI
InChI=1S/C20H29NO2/c1-3-21(4-2)14-15-23-20(22)19(18-12-8-9-13-18)16-17-10-6-5-7-11-17/h5-8,10-12,18-19H,3-4,9,13-16H2,1-2H3
InChIKey
OFUDAYXULYVGOY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 182.2
[M+Na]+ 338.20904 183.9
[M-H]- 314.21254 188.6
[M+NH4]+ 333.25364 198.0
[M+K]+ 354.18298 181.8
[M+H-H2O]+ 298.21708 173.5
[M+HCOO]- 360.21802 204.0
[M+CH3COO]- 374.23367 212.7
[M+Na-2H]- 336.19449 180.6
[M]+ 315.21927 184.0
[M]- 315.22037 184.0
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.