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 135.6
[M+Na]+ 196.10967 141.4
[M-H]- 172.11317 140.2
[M+NH4]+ 191.15427 152.0
[M+K]+ 212.08361 140.3
[M+H-H2O]+ 156.11771 124.9
[M+HCOO]- 218.11865 154.2
[M+CH3COO]- 232.13430 147.8
[M+Na-2H]- 194.09512 142.0
[M]+ 173.11990 139.6
[M]- 173.12100 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.