CID 65690504

1-(pyrimidin-5-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

C1=CN(N=C1N)C2=CN=CN=C2

InChI

InChI=1S/C7H7N5/c8-7-1-2-12(11-7)6-3-9-5-10-4-6/h1-5H,(H2,8,11)

InChIKey

AAGSOZFRYFQXGE-UHFFFAOYSA-N

Compound name

1-pyrimidin-5-ylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.07014 Da
Monoisotopic Mass: -0.2
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]+	162.07742	131.1
[M+Na]+	184.05936	141.0
[M-H]-	160.06286	132.7
[M+NH4]+	179.10396	147.6
[M+K]+	200.03330	137.8
[M+H-H2O]+	144.06740	121.7
[M+HCOO]-	206.06834	153.7
[M+CH3COO]-	220.08399	144.2
[M+Na-2H]-	182.04481	139.1
[M]+	161.06959	129.3
[M]-	161.07069	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe