CID 10330518

Aphanorphine

Structural Information

Molecular Formula
C13H17NO
SMILES
C[C@@]12C[C@@H](CC3=C1C=C(C=C3)O)N(C2)C
InChI
InChI=1S/C13H17NO/c1-13-7-10(14(2)8-13)5-9-3-4-11(15)6-12(9)13/h3-4,6,10,15H,5,7-8H2,1-2H3/t10-,13+/m1/s1
InChIKey
FVVVZSVINPVAIU-MFKMUULPSA-N
Compound name
(1R,9R)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.1
[M+Na]+ 226.12023 155.3
[M-H]- 202.12373 147.7
[M+NH4]+ 221.16483 170.3
[M+K]+ 242.09417 150.9
[M+H-H2O]+ 186.12827 140.7
[M+HCOO]- 248.12921 162.6
[M+CH3COO]- 262.14486 158.7
[M+Na-2H]- 224.10568 152.0
[M]+ 203.13046 144.9
[M]- 203.13156 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.