CID 3055987

2-(((acetyloxy)acetyl)oxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C9H18NO4
SMILES
CC(=O)OCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C9H18NO4/c1-8(11)14-7-9(12)13-6-5-10(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
HSADZDYKDAGLGO-UHFFFAOYSA-N
Compound name
2-(2-acetyloxyacetyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.12358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13086 143.2
[M+Na]+ 227.11280 153.1
[M+NH4]+ 222.15740 150.1
[M+K]+ 243.08674 150.6
[M-H]- 203.11630 142.9
[M+Na-2H]- 225.09825 146.3
[M]+ 204.12303 144.5
[M]- 204.12413 144.5
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

patents stripe