CID 6399095

Isonitrosoacetone

Structural Information

Molecular Formula

SMILES

CC(=O)/C=N/O

InChI

InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+

InChIKey

OVGLVOLWBBGQHS-DUXPYHPUSA-N

Compound name

(1E)-1-hydroxyiminopropan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 215
Patents: 87.03203 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]+	88.039306	114.1
[M+Na]+	110.02125	123.8
[M+NH4]+	105.06585	121.6
[M+K]+	125.99519	119.6
[M-H]-	86.024754	113.3
[M+Na-2H]-	108.00670	118.1
[M]+	87.031481	114.8
[M]-	87.032579	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe