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]+ 219.14652 147.5
[M+Na]+ 241.12846 153.3
[M-H]- 217.13196 149.2
[M+NH4]+ 236.17306 166.5
[M+K]+ 257.10240 149.2
[M+H-H2O]+ 201.13650 145.2
[M+HCOO]- 263.13744 170.0
[M+CH3COO]- 277.15309 186.3
[M+Na-2H]- 239.11391 154.3
[M]+ 218.13869 152.0
[M]- 218.13979 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.