CID 55346

85467-56-7

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCN(C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C18H27NO2/c1-4-6-12-19(3)14-16-13-18(16,17(20)21-5-2)15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3/t16-,18+/m1/s1
InChIKey
SESWYRYNEDWZGE-AEFFLSMTSA-N
Compound name
ethyl (1R,2S)-2-[[butyl(methyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 170.7
[M+Na]+ 312.19342 182.9
[M+NH4]+ 307.23802 180.2
[M+K]+ 328.16736 175.6
[M-H]- 288.19692 181.3
[M+Na-2H]- 310.17887 180.7
[M]+ 289.20365 176.7
[M]- 289.20475 176.7
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.