CID 123812118

4-ethynyl-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

CN1C(=C(C=N1)C#C)N

InChI

InChI=1S/C6H7N3/c1-3-5-4-8-9(2)6(5)7/h1,4H,7H2,2H3

InChIKey

WBZVQSWDQKBJHH-UHFFFAOYSA-N

Compound name

4-ethynyl-2-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 121.063995 Da
Monoisotopic Mass: 0.1
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]+	122.07127	124.1
[M+Na]+	144.05321	135.3
[M+NH4]+	139.09782	128.5
[M+K]+	160.02715	128.8
[M-H]-	120.05672	117.0
[M+Na-2H]-	142.03866	126.8
[M]+	121.06345	122.7
[M]-	121.06454	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe