CID 6412321

41078-09-5

Structural Information

Molecular Formula

C₆H₈N₄O₃

SMILES

CCNC(=O)NC(=O)/C(=N/O)/C#N

InChI

InChI=1S/C6H8N4O3/c1-2-8-6(12)9-5(11)4(3-7)10-13/h13H,2H2,1H3,(H2,8,9,11,12)/b10-4+

InChIKey

LKDPYACUJRSFNP-ONNFQVAWSA-N

Compound name

(2E)-2-cyano-N-(ethylcarbamoyl)-2-hydroxyiminoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.05965 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]+	185.06693	144.7
[M+Na]+	207.04887	149.8
[M+NH4]+	202.09347	145.9
[M+K]+	223.02281	144.5
[M-H]-	183.05237	135.8
[M+Na-2H]-	205.03432	143.3
[M]+	184.05910	141.3
[M]-	184.06020	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe