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

6
Annotation Hits: 42
References: 3766
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	126.6
[M+Na]+	174.99616	133.3
[M-H]-	150.99966	127.4
[M+NH4]+	170.04076	157.3
[M+K]+	190.97010	127.0
[M+H-H2O]+	135.00420	130.7
[M+HCOO]-	197.00514	173.1
[M+CH3COO]-	211.02079	163.4
[M+Na-2H]-	172.98161	137.3
[M]+	152.00639	126.5
[M]-	152.00749	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe