CID 12312794

Acetaldehyde, nitro-, oxime

Structural Information

Molecular Formula

C₂H₄N₂O₃

SMILES

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

InChI

InChI=1S/C2H4N2O3/c5-3-1-2-4(6)7/h1,5H,2H2/b3-1+

InChIKey

FYFYCAVDUPOEOO-HNQUOIGGSA-N

Compound name

(NE)-N-(2-nitroethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 220
Patents: 104.022194 Da
Monoisotopic Mass: 0.0
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]+	105.02947	114.1
[M+Na]+	127.01141	121.6
[M-H]-	103.01492	115.0
[M+NH4]+	122.05602	136.1
[M+K]+	142.98535	118.4
[M+H-H2O]+	87.019454	114.2
[M+HCOO]-	149.02040	141.9
[M+CH3COO]-	163.03604	161.0
[M+Na-2H]-	124.99686	124.3
[M]+	104.02165	112.6
[M]-	104.02274	112.6

Literature stripe

literature stripe

Patent stripe

patents stripe