CID 20623

2-nitroethyl nitrate

Structural Information

Molecular Formula

C₂H₄N₂O₅

SMILES

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

InChI

InChI=1S/C2H4N2O5/c5-3(6)1-2-9-4(7)8/h1-2H2

InChIKey

FRXFYZJACNONHT-UHFFFAOYSA-N

Compound name

2-nitroethyl nitrate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 136.01202 Da
Monoisotopic Mass: 0.3
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]+	137.019296	124.1
[M+Na]+	159.001238	131.0
[M-H]-	135.004744	124.9
[M+NH4]+	154.045843	143.5
[M+K]+	174.975178	124.3
[M+H-H2O]+	119.009280	128.4
[M+HCOO]-	181.010221	151.0
[M+CH3COO]-	195.025871	161.4
[M+Na-2H]-	156.986686	134.5
[M]+	136.01147142	122.7
[M]-	136.01256858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe