CID 23202

3-tropanyl 2-(p-chlorophenyl)acrylate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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 172.6
[M+Na]+ 328.10748 178.9
[M-H]- 304.11098 176.5
[M+NH4]+ 323.15208 190.3
[M+K]+ 344.08142 173.5
[M+H-H2O]+ 288.11552 166.0
[M+HCOO]- 350.11646 183.4
[M+CH3COO]- 364.13211 204.3
[M+Na-2H]- 326.09293 171.4
[M]+ 305.11771 172.4
[M]- 305.11881 172.4
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.