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 152.3
[M+Na]+ 255.14410 157.7
[M-H]- 231.14760 153.9
[M+NH4]+ 250.18870 170.8
[M+K]+ 271.11804 153.3
[M+H-H2O]+ 215.15214 149.8
[M+HCOO]- 277.15308 174.5
[M+CH3COO]- 291.16873 189.3
[M+Na-2H]- 253.12955 158.6
[M]+ 232.15433 157.2
[M]- 232.15543 157.2
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.