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

107
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 135.8
[M+Na]+ 196.10967 141.5
[M-H]- 172.11317 136.0
[M+NH4]+ 191.15427 156.5
[M+K]+ 212.08361 136.9
[M+H-H2O]+ 156.11771 129.2
[M+HCOO]- 218.11865 150.3
[M+CH3COO]- 232.13430 147.1
[M+Na-2H]- 194.09512 144.6
[M]+ 173.11990 129.5
[M]- 173.12100 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