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]+ 188.143376 140.2
[M+Na]+ 210.125318 144.9
[M-H]- 186.128824 144.1
[M+NH4]+ 205.169923 154.1
[M+K]+ 226.099258 143.7
[M+H-H2O]+ 170.133360 128.5
[M+HCOO]- 232.134301 156.3
[M+CH3COO]- 246.149951 151.3
[M+Na-2H]- 208.110766 147.7
[M]+ 187.13555142 142.4
[M]- 187.13664858 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.