CID 46815

3'-chloroatropic acid, 3-tropanyl ester, hydrochloride

Structural Information

Molecular Formula
C17H20ClNO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H20ClNO2/c1-11(12-4-3-5-13(18)8-12)17(20)21-16-9-14-6-7-15(10-16)19(14)2/h3-5,8,14-16H,1,6-7,9-10H2,2H3
InChIKey
WXKSFWYDJJWDKB-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11826 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12554 169.4
[M+Na]+ 328.10748 181.1
[M+NH4]+ 323.15208 178.0
[M+K]+ 344.08142 175.6
[M-H]- 304.11098 171.5
[M+Na-2H]- 326.09293 172.5
[M]+ 305.11771 171.8
[M]- 305.11881 171.8
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.