CID 51772

73231-72-8

Structural Information

Molecular Formula
C10H20NO4
SMILES
CC(=O)OCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C10H20NO4/c1-9(12)14-7-5-10(13)15-8-6-11(2,3)4/h5-8H2,1-4H3/q+1
InChIKey
ZPORABCQGOJJLN-UHFFFAOYSA-N
Compound name
2-(3-acetyloxypropanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13924 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.146516 147.5
[M+Na]+ 241.128458 153.3
[M-H]- 217.131964 149.2
[M+NH4]+ 236.173063 166.5
[M+K]+ 257.102398 149.2
[M+H-H2O]+ 201.136500 145.2
[M+HCOO]- 263.137441 170.0
[M+CH3COO]- 277.153091 186.3
[M+Na-2H]- 239.113906 154.3
[M]+ 218.13869142 152.0
[M]- 218.13978858 152.0
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.