CID 3056004

2-(2-(acetyloxy)-1-oxobutoxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C11H22NO4
SMILES
CCC(C(=O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C11H22NO4/c1-6-10(16-9(2)13)11(14)15-8-7-12(3,4)5/h10H,6-8H2,1-5H3/q+1
InChIKey
PHTWHORIJMZKSG-UHFFFAOYSA-N
Compound name
2-(2-acetyloxybutanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15488 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.162156 151.6
[M+Na]+ 255.144098 156.8
[M-H]- 231.147604 153.3
[M+NH4]+ 250.188703 170.1
[M+K]+ 271.118038 153.0
[M+H-H2O]+ 215.152140 149.3
[M+HCOO]- 277.153081 172.9
[M+CH3COO]- 291.168731 190.0
[M+Na-2H]- 253.129546 156.8
[M]+ 232.15433142 155.9
[M]- 232.15542858 155.9
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.