CID 6410562

Brn 0888735

Structural Information

Molecular Formula

C₈H₈N₈

SMILES

C1=CC(=NN=C1NN)N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C8H8N8/c9-3-5-4-12-16(8(5)10)7-2-1-6(13-11)14-15-7/h1-2,4H,10-11H2,(H,13,14)

InChIKey

GOCBHPRBDLTXHP-UHFFFAOYSA-N

Compound name

5-amino-1-(6-hydrazinylpyridazin-3-yl)pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.08719 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]+	217.09447	144.5
[M+Na]+	239.07641	153.9
[M-H]-	215.07991	144.0
[M+NH4]+	234.12101	155.8
[M+K]+	255.05035	150.5
[M+H-H2O]+	199.08445	127.2
[M+HCOO]-	261.08539	163.4
[M+CH3COO]-	275.10104	153.9
[M+Na-2H]-	237.06186	149.5
[M]+	216.08664	135.8
[M]-	216.08774	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe