CID 52921323

6,7-benzomorphan hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CN[C@@H]2C[C@H]1C3=CC=CC=C3C2
InChI
InChI=1S/C12H15N/c1-2-4-12-9(3-1)7-11-8-10(12)5-6-13-11/h1-4,10-11,13H,5-8H2/t10-,11-/m0/s1
InChIKey
NSLKFRGZLUIUKO-QWRGUYRKSA-N
Compound name
(1S,9R)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
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 135.8
[M+Na]+ 196.109668 141.5
[M-H]- 172.113174 136.0
[M+NH4]+ 191.154273 156.5
[M+K]+ 212.083608 136.9
[M+H-H2O]+ 156.117710 129.2
[M+HCOO]- 218.118651 150.3
[M+CH3COO]- 232.134301 147.1
[M+Na-2H]- 194.095116 144.6
[M]+ 173.11990142 129.5
[M]- 173.12099858 129.5
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