CID 150089

2-(ethylnitroamino)ethyl nitrate

Structural Information

Molecular Formula

C₄H₉N₃O₅

SMILES

CCN(CCO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H9N3O5/c1-2-5(6(8)9)3-4-12-7(10)11/h2-4H2,1H3

InChIKey

JOPZHCIUTNIPAH-UHFFFAOYSA-N

Compound name

2-[ethyl(nitro)amino]ethyl nitrate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 179.05421 Da
Monoisotopic Mass: 1.3
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]+	180.06149	147.1
[M+Na]+	202.04343	153.2
[M+NH4]+	197.08803	155.7
[M+K]+	218.01737	162.9
[M-H]-	178.04693	141.9
[M+Na-2H]-	200.02888	145.8
[M]+	179.05366	148.5
[M]-	179.05476	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe