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]+ 157.146116 133.1
[M+Na]+ 179.128058 138.7
[M-H]- 155.131564 128.1
[M+NH4]+ 174.172663 158.9
[M+K]+ 195.101998 131.0
[M+H-H2O]+ 139.136100 131.5
[M+HCOO]- 201.137041 142.3
[M+CH3COO]- 215.152691 174.1
[M+Na-2H]- 177.113506 146.4
[M]+ 156.13829142 131.6
[M]- 156.13938858 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.