CID 3051034

67239-12-7

Structural Information

Molecular Formula
C19H33NO2
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C2CCC=C2
InChI
InChI=1S/C19H33NO2/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h8,12,16-18H,3-7,9-11,13-15H2,1-2H3
InChIKey
UWTHHISRHNGXLO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.258406 181.8
[M+Na]+ 330.240348 180.8
[M-H]- 306.243854 187.1
[M+NH4]+ 325.284953 197.6
[M+K]+ 346.214288 179.5
[M+H-H2O]+ 290.248390 173.4
[M+HCOO]- 352.249331 199.4
[M+CH3COO]- 366.264981 210.9
[M+Na-2H]- 328.225796 177.7
[M]+ 307.25058142 178.9
[M]- 307.25167858 178.9
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.