CID 3051032

67239-11-6

Structural Information

Molecular Formula
C17H31NO2
SMILES
CCCCC(C1CCC=C1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C17H31NO2/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3/h8,10,15-16H,4-7,9,11-14H2,1-3H3
InChIKey
POMXNUSQGAUMPG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.242746 176.5
[M+Na]+ 304.224688 178.3
[M-H]- 280.228194 179.6
[M+NH4]+ 299.269293 194.2
[M+K]+ 320.198628 177.5
[M+H-H2O]+ 264.232730 168.9
[M+HCOO]- 326.233671 197.7
[M+CH3COO]- 340.249321 208.3
[M+Na-2H]- 302.210136 174.0
[M]+ 281.23492142 179.8
[M]- 281.23601858 179.8
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.