CID 46817

3-tropanyl 2',6'-dichloroatropate hydrochloride

Structural Information

Molecular Formula
C17H19Cl2NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(=C)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H19Cl2NO2/c1-10(16-14(18)4-3-5-15(16)19)17(21)22-13-8-11-6-7-12(9-13)20(11)2/h3-5,11-13H,1,6-9H2,2H3
InChIKey
UTLMXGAHEHUXJU-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2,6-dichlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.07928 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08656 178.9
[M+Na]+ 362.06850 186.5
[M-H]- 338.07200 182.3
[M+NH4]+ 357.11310 195.9
[M+K]+ 378.04244 179.9
[M+H-H2O]+ 322.07654 173.0
[M+HCOO]- 384.07748 184.6
[M+CH3COO]- 398.09313 209.7
[M+Na-2H]- 360.05395 176.3
[M]+ 339.07873 180.3
[M]- 339.07983 180.3
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.