CID 57577

6-hydroxy-2-methylisoquinuclidine methiodide

Structural Information

Molecular Formula
C9H18NO
SMILES
C[N+]1(CC2CCC1C(C2)O)C
InChI
InChI=1S/C9H18NO/c1-10(2)6-7-3-4-8(10)9(11)5-7/h7-9,11H,3-6H2,1-2H3/q+1
InChIKey
MWRILFMSSHNDGF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-2-azoniabicyclo[2.2.2]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.13884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.14612 133.1
[M+Na]+ 179.12806 138.7
[M-H]- 155.13156 128.1
[M+NH4]+ 174.17266 158.9
[M+K]+ 195.10200 131.0
[M+H-H2O]+ 139.13610 131.5
[M+HCOO]- 201.13704 142.3
[M+CH3COO]- 215.15269 174.1
[M+Na-2H]- 177.11351 146.4
[M]+ 156.13829 131.6
[M]- 156.13939 131.6
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

No patent data available for this compound.