CID 71756029

6-phenyl-7-azabicyclo[4.2.0]octane

Structural Information

Molecular Formula
C13H17N
SMILES
C1CCC2(C(C1)CN2)C3=CC=CC=C3
InChI
InChI=1S/C13H17N/c1-2-6-11(7-3-1)13-9-5-4-8-12(13)10-14-13/h1-3,6-7,12,14H,4-5,8-10H2
InChIKey
GDORPEUJQLHRFJ-UHFFFAOYSA-N
Compound name
6-phenyl-7-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 140.2
[M+Na]+ 210.12532 144.9
[M-H]- 186.12882 144.1
[M+NH4]+ 205.16992 154.1
[M+K]+ 226.09926 143.7
[M+H-H2O]+ 170.13336 128.5
[M+HCOO]- 232.13430 156.3
[M+CH3COO]- 246.14995 151.3
[M+Na-2H]- 208.11077 147.7
[M]+ 187.13555 142.4
[M]- 187.13665 142.4
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.