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]+ 316.227096 182.2
[M+Na]+ 338.209038 183.9
[M-H]- 314.212544 188.6
[M+NH4]+ 333.253643 198.0
[M+K]+ 354.182978 181.8
[M+H-H2O]+ 298.217080 173.5
[M+HCOO]- 360.218021 204.0
[M+CH3COO]- 374.233671 212.7
[M+Na-2H]- 336.194486 180.6
[M]+ 315.21927142 184.0
[M]- 315.22036858 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.