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]+ 266.211476 170.4
[M+Na]+ 288.193418 173.0
[M-H]- 264.196924 173.8
[M+NH4]+ 283.238023 188.7
[M+K]+ 304.167358 171.8
[M+H-H2O]+ 248.201460 163.2
[M+HCOO]- 310.202401 192.2
[M+CH3COO]- 324.218051 204.4
[M+Na-2H]- 286.178866 168.5
[M]+ 265.20365142 172.7
[M]- 265.20474858 172.7
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.