CID 11183512

8-benzyl-8-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C14H17NO
SMILES
C1C[C@H]2CC(=O)C[C@@H]1N2CC3=CC=CC=C3
InChI
InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+
InChIKey
RSUHKGOVXMXCND-BETUJISGSA-N
Compound name
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

889
Patents

215.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.9
[M+Na]+ 238.12023 155.2
[M-H]- 214.12373 152.9
[M+NH4]+ 233.16483 169.4
[M+K]+ 254.09417 151.2
[M+H-H2O]+ 198.12827 141.7
[M+HCOO]- 260.12921 167.0
[M+CH3COO]- 274.14486 160.7
[M+Na-2H]- 236.10568 152.7
[M]+ 215.13046 145.7
[M]- 215.13156 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe