CID 21932826

Phthalazin-6-amine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC2=CN=NC=C2C=C1N

InChI

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

InChIKey

IHRYNXNMVQFNPK-UHFFFAOYSA-N

Compound name

phthalazin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 145.064 Da
Monoisotopic Mass: 0.4
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	136.3
[M-H]-	144.05672	128.4
[M+NH4]+	163.09782	146.1
[M+K]+	184.02716	132.9
[M+H-H2O]+	128.06126	119.4
[M+HCOO]-	190.06220	149.3
[M+CH3COO]-	204.07785	140.4
[M+Na-2H]-	166.03867	137.6
[M]+	145.06345	124.8
[M]-	145.06455	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe