CID 3051036

67239-13-8

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCN(CC)CCOC(=O)C(CC(=C)C)C1CCC=C1
InChI
InChI=1S/C17H29NO2/c1-5-18(6-2)11-12-20-17(19)16(13-14(3)4)15-9-7-8-10-15/h7,9,15-16H,3,5-6,8,10-13H2,1-2,4H3
InChIKey
CFYGJACCDQUROZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-4-methylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 175.4
[M+Na]+ 302.20904 177.3
[M-H]- 278.21254 178.7
[M+NH4]+ 297.25364 193.0
[M+K]+ 318.18298 176.4
[M+H-H2O]+ 262.21708 168.1
[M+HCOO]- 324.21802 195.8
[M+CH3COO]- 338.23367 208.3
[M+Na-2H]- 300.19449 171.8
[M]+ 279.21927 177.4
[M]- 279.22037 177.4
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.