CID 3055989

2-(4-(acetyloxy)-1-oxobutoxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C11H22NO4
SMILES
CC(=O)OCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C11H22NO4/c1-10(13)15-8-5-6-11(14)16-9-7-12(2,3)4/h5-9H2,1-4H3/q+1
InChIKey
YJAKFKTWCHJCQA-UHFFFAOYSA-N
Compound name
2-(4-acetyloxybutanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15488 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16216 152.0
[M+Na]+ 255.14410 161.4
[M+NH4]+ 250.18870 158.6
[M+K]+ 271.11804 158.5
[M-H]- 231.14760 151.6
[M+Na-2H]- 253.12955 154.6
[M]+ 232.15433 153.2
[M]- 232.15543 153.2
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.