CID 6399380

6829-41-0

Structural Information

Molecular Formula

C₇H₁₁NO₅

SMILES

CCOC(=O)C(=NO)C(=O)OCC

InChI

InChI=1S/C7H11NO5/c1-3-12-6(9)5(8-11)7(10)13-4-2/h11H,3-4H2,1-2H3

InChIKey

QOPCUMZEDYLUDO-UHFFFAOYSA-N

Compound name

diethyl 2-hydroxyiminopropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 189.06372 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.070996	138.3
[M+Na]+	212.052938	144.4
[M-H]-	188.056444	138.6
[M+NH4]+	207.097543	157.4
[M+K]+	228.026878	146.0
[M+H-H2O]+	172.060980	132.8
[M+HCOO]-	234.061921	161.7
[M+CH3COO]-	248.077571	183.0
[M+Na-2H]-	210.038386	141.5
[M]+	189.06317142	142.1
[M]-	189.06426858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe