CID 162190

63365-44-6

Structural Information

Molecular Formula

C₁₀H₉N₃O₃

SMILES

CNC1=C(C(=CC=C1)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C10H9N3O3/c1-12-7-3-2-4-8(6(7)5-11)13-9(14)10(15)16/h2-4,12H,1H3,(H,13,14)(H,15,16)

InChIKey

QHHSUAVLEGXSDI-UHFFFAOYSA-N

Compound name

2-[2-cyano-3-(methylamino)anilino]-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 219.06439 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]+	220.07167	150.8
[M+Na]+	242.05361	159.5
[M+NH4]+	237.09821	153.2
[M+K]+	258.02755	152.6
[M-H]-	218.05711	144.2
[M+Na-2H]-	240.03906	152.3
[M]+	219.06384	148.9
[M]-	219.06494	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe