CID 1514289

87751-33-5

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C2C(=C1)C(=C(C=N2)N)N

InChI

InChI=1S/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)

InChIKey

UTOMICFLROGMAE-UHFFFAOYSA-N

Compound name

quinoline-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 571
Patents: 159.07965 Da
Monoisotopic Mass: 0.8
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]+	160.08693	130.5
[M+Na]+	182.06887	139.7
[M-H]-	158.07237	133.4
[M+NH4]+	177.11347	150.4
[M+K]+	198.04281	136.0
[M+H-H2O]+	142.07691	123.9
[M+HCOO]-	204.07785	154.6
[M+CH3COO]-	218.09350	144.1
[M+Na-2H]-	180.05432	139.4
[M]+	159.07910	127.2
[M]-	159.08020	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe