CID 419976

Methscopine

Structural Information

Molecular Formula
C9H16NO2
SMILES
C[N+]1(C2CC(CC1C3C2O3)O)C
InChI
InChI=1S/C9H16NO2/c1-10(2)6-3-5(11)4-7(10)9-8(6)12-9/h5-9,11H,3-4H2,1-2H3/q+1
InChIKey
IHDIVGVZYGVCEG-UHFFFAOYSA-N
Compound name
9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

170.1181 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 132.8
[M+Na]+ 193.10732 147.0
[M+NH4]+ 188.15192 145.5
[M+K]+ 209.08126 143.6
[M-H]- 169.11082 143.1
[M+Na-2H]- 191.09277 138.6
[M]+ 170.11755 139.4
[M]- 170.11865 139.4
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