CID 202119

(+-)-muscarone iodide

Structural Information

Molecular Formula
C9H18NO2
SMILES
C[C@@H]1C(=O)C[C@@H](O1)C[N+](C)(C)C
InChI
InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
InChIKey
XKOQIVSZENKHPJ-HTQZYQBOSA-N
Compound name
trimethyl-[[(2R,5R)-5-methyl-4-oxooxolan-2-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

0
Patents

172.13376 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.14104 134.6
[M+Na]+ 195.12298 142.0
[M-H]- 171.12648 140.6
[M+NH4]+ 190.16758 156.4
[M+K]+ 211.09692 137.5
[M+H-H2O]+ 155.13102 133.1
[M+HCOO]- 217.13196 157.2
[M+CH3COO]- 231.14761 178.6
[M+Na-2H]- 193.10843 142.8
[M]+ 172.13321 134.7
[M]- 172.13431 134.7
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

No patent data available for this compound.