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 172.8
[M+Na]+ 302.20904 179.1
[M+NH4]+ 297.25364 178.9
[M+K]+ 318.18298 175.8
[M-H]- 278.21254 173.1
[M+Na-2H]- 300.19449 174.3
[M]+ 279.21927 173.3
[M]- 279.22037 173.3
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.