CID 5363199

Methylazoxymethanol acetate

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CC(=O)OC/N=[N+](/C)\[O-]

InChI

InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5-

InChIKey

BELPJCDYWUCHKF-WAYWQWQTSA-N

Compound name

(Z)-acetyloxymethylimino-methyl-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 652
References: 89
Patents: 132.0535 Da
Monoisotopic Mass: -0.3
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]+	133.06078	124.0
[M+Na]+	155.04272	134.2
[M+NH4]+	150.08732	131.4
[M+K]+	171.01666	132.5
[M-H]-	131.04622	125.0
[M+Na-2H]-	153.02817	127.8
[M]+	132.05295	125.3
[M]-	132.05405	125.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.