CID 6399414

Methyl 2-cyano-2-oximinoacetate

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

COC(=O)/C(=N\O)/C#N

InChI

InChI=1S/C4H4N2O3/c1-9-4(7)3(2-5)6-8/h8H,1H3/b6-3-

InChIKey

ZTUBRMAHOKWHCL-UTCJRWHESA-N

Compound name

methyl (2Z)-2-cyano-2-hydroxyiminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 128.02219 Da
Monoisotopic Mass: 1.0
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]+	129.02947	126.1
[M+Na]+	151.01141	134.3
[M+NH4]+	146.05601	129.1
[M+K]+	166.98535	128.3
[M-H]-	127.01491	117.4
[M+Na-2H]-	148.99686	126.6
[M]+	128.02164	123.5
[M]-	128.02274	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe