CID 125424839

Rac-(1r,5r)-1-phenyl-2-azabicyclo[3.2.0]heptane

Structural Information

Molecular Formula
C12H15N
SMILES
C1C[C@]2([C@@H]1CCN2)C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)12-8-6-11(12)7-9-13-12/h1-5,11,13H,6-9H2/t11-,12+/m0/s1
InChIKey
JLVFVQRXKUKNIZ-NWDGAFQWSA-N
Compound name
(1S,5S)-1-phenyl-2-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 135.6
[M+Na]+ 196.109668 141.4
[M-H]- 172.113174 140.2
[M+NH4]+ 191.154273 152.0
[M+K]+ 212.083608 140.3
[M+H-H2O]+ 156.117710 124.9
[M+HCOO]- 218.118651 154.2
[M+CH3COO]- 232.134301 147.8
[M+Na-2H]- 194.095116 142.0
[M]+ 173.11990142 139.6
[M]- 173.12099858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.