CID 2802924

2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CC2C(CC1C(=O)N2CC3=CC=CC=C3)O
InChI
InChI=1S/C14H17NO2/c16-13-8-11-6-7-12(13)15(14(11)17)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2
InChIKey
SZZBRBACJAEQMR-UHFFFAOYSA-N
Compound name
2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

17
Patents

231.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.133206 150.3
[M+Na]+ 254.115148 155.0
[M-H]- 230.118654 147.6
[M+NH4]+ 249.159753 170.6
[M+K]+ 270.089088 151.1
[M+H-H2O]+ 214.123190 143.8
[M+HCOO]- 276.124131 160.0
[M+CH3COO]- 290.139781 159.8
[M+Na-2H]- 252.100596 159.8
[M]+ 231.12538142 150.3
[M]- 231.12647858 150.3
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