CID 14936089

Rac-(1r,5s,6r)-6-phenyl-3-azabicyclo[3.2.0]heptane hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1[C@@H]2CNC[C@@H]2[C@H]1C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-13H,6-8H2/t10-,11-,12+/m1/s1
InChIKey
ZEICVRUUVHTYRQ-UTUOFQBUSA-N
Compound name
(1S,5R,6S)-6-phenyl-3-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 133.1
[M+Na]+ 196.109668 138.8
[M-H]- 172.113174 137.6
[M+NH4]+ 191.154273 147.8
[M+K]+ 212.083608 137.8
[M+H-H2O]+ 156.117710 122.0
[M+HCOO]- 218.118651 151.7
[M+CH3COO]- 232.134301 145.4
[M+Na-2H]- 194.095116 138.1
[M]+ 173.11990142 137.3
[M]- 173.12099858 137.3
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