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

12
Patents

217.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 146.7
[M+Na]+ 240.099498 153.6
[M-H]- 216.103004 151.6
[M+NH4]+ 235.144103 165.8
[M+K]+ 256.073438 151.4
[M+H-H2O]+ 200.107540 139.8
[M+HCOO]- 262.108481 164.5
[M+CH3COO]- 276.124131 159.1
[M+Na-2H]- 238.084946 151.9
[M]+ 217.10973142 145.3
[M]- 217.11082858 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