CID 42863

58880-38-9

Structural Information

Molecular Formula
C20H29NO2
SMILES
CN(C)CCOC(=O)C1(CC1)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C20H29NO2/c1-21(2)14-15-23-19(22)20(12-13-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3
InChIKey
WOEBCDOKPINEDM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 175.1
[M+Na]+ 338.20904 178.9
[M-H]- 314.21254 185.0
[M+NH4]+ 333.25364 186.5
[M+K]+ 354.18298 177.2
[M+H-H2O]+ 298.21708 167.1
[M+HCOO]- 360.21802 194.6
[M+CH3COO]- 374.23367 213.8
[M+Na-2H]- 336.19449 176.5
[M]+ 315.21927 175.9
[M]- 315.22037 175.9
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.