CID 57485746

6-benzyl-6-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C14H17NO
SMILES
C1C2CC(=O)CC1N(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H17NO/c16-14-7-12-6-13(8-14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
REVWWFCQBQDVEN-UHFFFAOYSA-N
Compound name
6-benzyl-6-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 149.6
[M+Na]+ 238.12023 161.9
[M+NH4]+ 233.16483 159.6
[M+K]+ 254.09417 155.7
[M-H]- 214.12373 152.9
[M+Na-2H]- 236.10568 154.7
[M]+ 215.13046 152.2
[M]- 215.13156 152.2
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

patents stripe