CID 26001

Aminoethyl nitrate

Structural Information

Molecular Formula

C₂H₆N₂O₃

SMILES

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

InChI

InChI=1S/C2H6N2O3/c3-1-2-7-4(5)6/h1-3H2

InChIKey

KZTZJUQNSSLNAG-UHFFFAOYSA-N

Compound name

2-aminoethyl nitrate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 715
Patents: 106.03784 Da
Monoisotopic Mass: -0.4
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]+	107.04512	115.1
[M+Na]+	129.02706	125.1
[M+NH4]+	124.07166	122.7
[M+K]+	145.00100	123.8
[M-H]-	105.03056	115.9
[M+Na-2H]-	127.01251	118.9
[M]+	106.03729	116.3
[M]-	106.03839	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe