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]+ 202.122646 144.6
[M+Na]+ 224.104588 151.0
[M-H]- 200.108094 147.5
[M+NH4]+ 219.149193 164.9
[M+K]+ 240.078528 146.3
[M+H-H2O]+ 184.112630 137.9
[M+HCOO]- 246.113571 161.6
[M+CH3COO]- 260.129221 156.2
[M+Na-2H]- 222.090036 148.6
[M]+ 201.11482142 139.2
[M]- 201.11591858 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.