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]+ 282.24275 176.5
[M+Na]+ 304.22469 178.3
[M-H]- 280.22819 179.6
[M+NH4]+ 299.26929 194.2
[M+K]+ 320.19863 177.5
[M+H-H2O]+ 264.23273 168.9
[M+HCOO]- 326.23367 197.7
[M+CH3COO]- 340.24932 208.3
[M+Na-2H]- 302.21014 174.0
[M]+ 281.23492 179.8
[M]- 281.23602 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.