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

8
Patents

160.13376 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.14104 132.2
[M+Na]+ 183.12298 138.8
[M-H]- 159.12648 138.5
[M+NH4]+ 178.16758 152.9
[M+K]+ 199.09692 136.0
[M+H-H2O]+ 143.13102 130.6
[M+HCOO]- 205.13196 154.0
[M+CH3COO]- 219.14761 175.6
[M+Na-2H]- 181.10843 142.4
[M]+ 160.13321 132.8
[M]- 160.13431 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.