CID 3051028

67239-09-2

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCN(CC)CCOC(=O)C(CC=C)C1CCC=C1
InChI
InChI=1S/C16H27NO2/c1-4-9-15(14-10-7-8-11-14)16(18)19-13-12-17(5-2)6-3/h4,7,10,14-15H,1,5-6,8-9,11-13H2,2-3H3
InChIKey
KHRUROXAFZFMAI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 168.7
[M+Na]+ 288.19342 175.6
[M+NH4]+ 283.23802 175.1
[M+K]+ 304.16736 171.6
[M-H]- 264.19692 169.2
[M+Na-2H]- 286.17887 170.7
[M]+ 265.20365 169.3
[M]- 265.20475 169.3
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.