CID 200555

2247-48-5

Structural Information

Molecular Formula
C16H20ClNO2
SMILES
CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3Cl
InChI
InChI=1S/C16H20ClNO2/c1-18-12-6-7-13(18)10-14(9-12)20-16(19)8-11-4-2-3-5-15(11)17/h2-5,12-14H,6-10H2,1H3
InChIKey
XGOLYPMCXPORPQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12554 169.3
[M+Na]+ 316.10748 176.0
[M-H]- 292.11098 173.2
[M+NH4]+ 311.15208 187.6
[M+K]+ 332.08142 170.9
[M+H-H2O]+ 276.11552 162.5
[M+HCOO]- 338.11646 181.2
[M+CH3COO]- 352.13211 201.2
[M+Na-2H]- 314.09293 169.7
[M]+ 293.11771 169.9
[M]- 293.11881 169.9
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.