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]+ 306.24275 180.3
[M+Na]+ 328.22469 180.4
[M-H]- 304.22819 186.0
[M+NH4]+ 323.26929 196.3
[M+K]+ 344.19863 178.9
[M+H-H2O]+ 288.23273 171.9
[M+HCOO]- 350.23367 199.4
[M+CH3COO]- 364.24932 210.5
[M+Na-2H]- 326.21014 177.2
[M]+ 305.23492 178.8
[M]- 305.23602 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.