CID 6861450

Methyl 2-cyano-2-(hydroxyimino)-acetate

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-ZZXKWVIFSA-N

Compound name

methyl (2E)-2-cyano-2-hydroxyiminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	123.4
[M+Na]+	151.01141	132.2
[M-H]-	127.01491	124.5
[M+NH4]+	146.05601	142.8
[M+K]+	166.98535	133.5
[M+H-H2O]+	111.01945	111.9
[M+HCOO]-	173.02039	144.3
[M+CH3COO]-	187.03604	185.0
[M+Na-2H]-	148.99686	128.9
[M]+	128.02164	119.4
[M]-	128.02274	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe