CID 20411

Methamilane methiodide

Structural Information

Molecular Formula
C8H18NO2
SMILES
CC1OCC(O1)C[N+](C)(C)C
InChI
InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKey
COSSAOQSSXDIQW-UHFFFAOYSA-N
Compound name
trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

9
Patents

160.13376 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.141036 132.2
[M+Na]+ 183.122978 138.8
[M-H]- 159.126484 138.5
[M+NH4]+ 178.167583 152.9
[M+K]+ 199.096918 136.0
[M+H-H2O]+ 143.131020 130.6
[M+HCOO]- 205.131961 154.0
[M+CH3COO]- 219.147611 175.6
[M+Na-2H]- 181.108426 142.4
[M]+ 160.13321142 132.8
[M]- 160.13430858 132.8
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.