CID 40818

Ethylene glycol dinitrate

Structural Information

Molecular Formula

C₂H₄N₂O₆

SMILES

C(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2

InChIKey

UQXKXGWGFRWILX-UHFFFAOYSA-N

Compound name

2-nitrooxyethyl nitrate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 42
References: 2374
Patents: 152.00694 Da
Monoisotopic Mass: 0.8
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]+	153.01422	133.9
[M+Na]+	174.99616	140.6
[M+NH4]+	170.04076	142.9
[M+K]+	190.97010	151.0
[M-H]-	150.99966	129.1
[M+Na-2H]-	172.98161	134.1
[M]+	152.00639	135.6
[M]-	152.00749	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe