CID 3050615

Dtxsid10216978

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

C1=CN(N=C1)N2C=CN=C2

InChI

InChI=1S/C6H6N4/c1-2-8-10(4-1)9-5-3-7-6-9/h1-6H

InChIKey

GAXDPKIZNJKMHP-UHFFFAOYSA-N

Compound name

1-imidazol-1-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 134.05925 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]+	135.066526	121.8
[M+Na]+	157.048468	132.7
[M-H]-	133.051974	124.1
[M+NH4]+	152.093073	141.5
[M+K]+	173.022408	131.1
[M+H-H2O]+	117.056510	112.8
[M+HCOO]-	179.057451	146.4
[M+CH3COO]-	193.073101	136.5
[M+Na-2H]-	155.033916	129.5
[M]+	134.05870142	123.2
[M]-	134.05979858	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe