CID 21963770

5-phenyl-2-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1C2CC(C1CN2)C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-9(5-3-1)12-7-11-6-10(12)8-13-11/h1-5,10-13H,6-8H2
InChIKey
MUROLIFHOWBXIX-UHFFFAOYSA-N
Compound name
5-phenyl-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 138.8
[M+Na]+ 196.109668 145.5
[M-H]- 172.113174 142.1
[M+NH4]+ 191.154273 162.1
[M+K]+ 212.083608 141.4
[M+H-H2O]+ 156.117710 132.8
[M+HCOO]- 218.118651 158.1
[M+CH3COO]- 232.134301 151.4
[M+Na-2H]- 194.095116 142.3
[M]+ 173.11990142 134.4
[M]- 173.12099858 134.4
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