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 142.6
[M+Na]+ 227.11280 148.9
[M-H]- 203.11630 144.6
[M+NH4]+ 222.15740 162.3
[M+K]+ 243.08674 145.0
[M+H-H2O]+ 187.12084 140.5
[M+HCOO]- 249.12178 165.5
[M+CH3COO]- 263.13743 183.2
[M+Na-2H]- 225.09825 150.0
[M]+ 204.12303 146.8
[M]- 204.12413 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