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 130.7
[M+Na]+ 193.10732 141.8
[M-H]- 169.11082 133.9
[M+NH4]+ 188.15192 149.8
[M+K]+ 209.08126 134.2
[M+H-H2O]+ 153.11536 129.2
[M+HCOO]- 215.11630 145.2
[M+CH3COO]- 229.13195 175.8
[M+Na-2H]- 191.09277 140.4
[M]+ 170.11755 131.9
[M]- 170.11865 131.9
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