CID 29399

Phthalazin-1-amine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC=C2C(=C1)C=NN=C2N

InChI

InChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11)

InChIKey

WTYSCLHDMXBMKM-UHFFFAOYSA-N

Compound name

phthalazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 802
Patents: 145.064 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]+	146.07128	126.7
[M+Na]+	168.05322	141.3
[M+NH4]+	163.09782	136.1
[M+K]+	184.02716	134.2
[M-H]-	144.05672	129.8
[M+Na-2H]-	166.03867	135.5
[M]+	145.06345	129.6
[M]-	145.06455	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe