CID 1274465

Scopine hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O
InChI
InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4?,5-,6+,7-,8+
InChIKey
FIMXSEMBHGTNKT-UPGAHCIJSA-N
Compound name
(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1503
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.1
[M+Na]+ 178.08386 146.0
[M-H]- 154.08736 138.0
[M+NH4]+ 173.12846 152.9
[M+K]+ 194.05780 143.1
[M+H-H2O]+ 138.09190 130.1
[M+HCOO]- 200.09284 150.5
[M+CH3COO]- 214.10849 148.0
[M+Na-2H]- 176.06931 141.2
[M]+ 155.09409 137.5
[M]- 155.09519 137.5
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

patents stripe