CID 3072546

143232-60-4

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

CC1=CC2=C(C=C1)C(=C(N=N2)C(=O)O)N

InChI

InChI=1S/C10H9N3O2/c1-5-2-3-6-7(4-5)12-13-9(8(6)11)10(14)15/h2-4H,1H3,(H2,11,12)(H,14,15)

InChIKey

AWEVCTWWLDHGDG-UHFFFAOYSA-N

Compound name

4-amino-7-methylcinnoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.06947 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]+	204.07675	142.2
[M+Na]+	226.05869	155.2
[M+NH4]+	221.10329	149.3
[M+K]+	242.03263	150.2
[M-H]-	202.06219	143.3
[M+Na-2H]-	224.04414	147.8
[M]+	203.06892	144.1
[M]-	203.07002	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.