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]+ 308.25841 181.8
[M+Na]+ 330.24035 180.8
[M-H]- 306.24385 187.1
[M+NH4]+ 325.28495 197.6
[M+K]+ 346.21429 179.5
[M+H-H2O]+ 290.24839 173.4
[M+HCOO]- 352.24933 199.4
[M+CH3COO]- 366.26498 210.9
[M+Na-2H]- 328.22580 177.7
[M]+ 307.25058 178.9
[M]- 307.25168 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.