CID 362459

Nsc626406

Structural Information

Molecular Formula
C13H15NO
SMILES
C1CC2CC1C(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C13H15NO/c15-13-12(9-4-2-1-3-5-9)10-6-7-11(8-10)14-13/h1-5,10-12H,6-8H2,(H,14,15)
InChIKey
BUOOGLKBTUCHMT-UHFFFAOYSA-N
Compound name
4-phenyl-2-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 144.6
[M+Na]+ 224.10459 151.0
[M-H]- 200.10809 147.5
[M+NH4]+ 219.14919 164.9
[M+K]+ 240.07853 146.3
[M+H-H2O]+ 184.11263 137.9
[M+HCOO]- 246.11357 161.6
[M+CH3COO]- 260.12922 156.2
[M+Na-2H]- 222.09004 148.6
[M]+ 201.11482 139.2
[M]- 201.11592 139.2
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

No patent data available for this compound.