CID 3051018

67239-03-6

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCN(CC)CCOC(=O)C(C1CCCC=C1)C2CCC=C2
InChI
InChI=1S/C19H31NO2/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h6,8,10,12,16-18H,3-5,7,9,11,13-15H2,1-2H3
InChIKey
OKKBGECYYQMZIA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.242746 180.3
[M+Na]+ 328.224688 180.4
[M-H]- 304.228194 186.0
[M+NH4]+ 323.269293 196.3
[M+K]+ 344.198628 178.9
[M+H-H2O]+ 288.232730 171.9
[M+HCOO]- 350.233671 199.4
[M+CH3COO]- 364.249321 210.5
[M+Na-2H]- 326.210136 177.2
[M]+ 305.23492142 178.8
[M]- 305.23601858 178.8
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.