CID 4389974

105832-38-0

Structural Information

Molecular Formula
C9H16N3O3
SMILES
CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H16N3O3/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14/h5-6H2,1-4H3/q+1
InChIKey
ODXHUWJUMGZKQQ-UHFFFAOYSA-N
Compound name
[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

357
Patents

214.11917 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12645 145.7
[M+Na]+ 237.10839 151.9
[M-H]- 213.11189 151.1
[M+NH4]+ 232.15299 165.3
[M+K]+ 253.08233 148.0
[M+H-H2O]+ 197.11643 141.6
[M+HCOO]- 259.11737 169.8
[M+CH3COO]- 273.13302 188.7
[M+Na-2H]- 235.09384 149.3
[M]+ 214.11862 145.5
[M]- 214.11972 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe