CID 70655087

3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one hydrochloride

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1C2COC(C2=O)CN1CC3=CC=CC=C3
InChI
InChI=1S/C13H15NO2/c15-13-11-7-14(8-12(13)16-9-11)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
WCDULSMHAKPJCE-UHFFFAOYSA-N
Compound name
3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.7
[M+Na]+ 240.09950 153.6
[M-H]- 216.10300 151.6
[M+NH4]+ 235.14410 165.8
[M+K]+ 256.07344 151.4
[M+H-H2O]+ 200.10754 139.8
[M+HCOO]- 262.10848 164.5
[M+CH3COO]- 276.12413 159.1
[M+Na-2H]- 238.08495 151.9
[M]+ 217.10973 145.3
[M]- 217.11083 145.3
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