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]+ 174.12773 135.9
[M+Na]+ 196.10967 143.3
[M+NH4]+ 191.15427 143.4
[M+K]+ 212.08361 137.9
[M-H]- 172.11317 136.6
[M+Na-2H]- 194.09512 141.7
[M]+ 173.11990 136.1
[M]- 173.12100 136.1
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.