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

41
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 141.0
[M+Na]+ 196.109668 149.0
[M-H]- 172.113174 146.0
[M+NH4]+ 191.154273 157.0
[M+K]+ 212.083608 145.4
[M+H-H2O]+ 156.117710 134.0
[M+HCOO]- 218.118651 159.2
[M+CH3COO]- 232.134301 152.7
[M+Na-2H]- 194.095116 149.3
[M]+ 173.11990142 138.0
[M]- 173.12099858 138.0
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