CID 55356

85467-68-1

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3/t12-,15+/m1/s1
InChIKey
KOBFUVWHPQUMOA-DOMZBBRYSA-N
Compound name
ethyl (1R,2S)-1-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 160.4
[M+Na]+ 304.10748 169.4
[M-H]- 280.11098 169.1
[M+NH4]+ 299.15208 175.0
[M+K]+ 320.08142 166.4
[M+H-H2O]+ 264.11552 154.9
[M+HCOO]- 326.11646 179.9
[M+CH3COO]- 340.13211 207.2
[M+Na-2H]- 302.09293 163.8
[M]+ 281.11771 168.6
[M]- 281.11881 168.6
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.