CID 68550225

6-phenyl-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CNC[C@@H]2[C@]1(C2)C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)12-6-7-13-9-11(12)8-12/h1-5,11,13H,6-9H2/t11-,12-/m1/s1
InChIKey
WXRBBIIWHWVJRM-VXGBXAGGSA-N
Compound name
(1S,6R)-6-phenyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 142.7
[M+Na]+ 196.10967 157.4
[M+NH4]+ 191.15427 154.8
[M+K]+ 212.08361 148.8
[M-H]- 172.11317 153.8
[M+Na-2H]- 194.09512 154.2
[M]+ 173.11990 149.3
[M]- 173.12100 149.3
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

patents stripe