CID 6399078

3849-21-6

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CCOC(=O)C(=NO)C#N

InChI

InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3

InChIKey

LCFXLZAXGXOXAP-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-hydroxyiminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3984
Patents: 142.03784 Da
Monoisotopic Mass: 1.3
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]+	143.045116	127.4
[M+Na]+	165.027058	135.9
[M-H]-	141.030564	128.3
[M+NH4]+	160.071663	146.3
[M+K]+	181.000998	136.9
[M+H-H2O]+	125.035100	115.8
[M+HCOO]-	187.036041	148.0
[M+CH3COO]-	201.051691	187.7
[M+Na-2H]-	163.012506	132.4
[M]+	142.03729142	123.7
[M]-	142.03838858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe