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

6
Patents

204.12358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.130856 142.6
[M+Na]+ 227.112798 148.9
[M-H]- 203.116304 144.6
[M+NH4]+ 222.157403 162.3
[M+K]+ 243.086738 145.0
[M+H-H2O]+ 187.120840 140.5
[M+HCOO]- 249.121781 165.5
[M+CH3COO]- 263.137431 183.2
[M+Na-2H]- 225.098246 150.0
[M]+ 204.12303142 146.8
[M]- 204.12412858 146.8
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

patents stripe