CID 23505

N-nitrodiethylamine

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C4H10N2O2/c1-3-5(4-2)6(7)8/h3-4H2,1-2H3

InChIKey

QAXAHXNXXIWQIZ-UHFFFAOYSA-N

Compound name

N,N-diethylnitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 71
Patents: 118.07423 Da
Monoisotopic Mass: 1.4
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]+	119.08151	122.0
[M+Na]+	141.06345	128.7
[M-H]-	117.06695	124.1
[M+NH4]+	136.10805	144.3
[M+K]+	157.03739	126.6
[M+H-H2O]+	101.07149	121.8
[M+HCOO]-	163.07243	149.3
[M+CH3COO]-	177.08808	170.6
[M+Na-2H]-	139.04890	130.3
[M]+	118.07368	122.0
[M]-	118.07478	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe