CID 57416911

2225147-27-1

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C=CCN1C=C(C=N1)N

InChI

InChI=1S/C6H9N3/c1-2-3-9-5-6(7)4-8-9/h2,4-5H,1,3,7H2

InChIKey

HICFDFBJQDRFIF-UHFFFAOYSA-N

Compound name

1-prop-2-enylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 123.07965 Da
Monoisotopic Mass: 0.3
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]+	124.08693	124.5
[M+Na]+	146.06887	135.3
[M+NH4]+	141.11347	132.2
[M+K]+	162.04281	131.5
[M-H]-	122.07237	125.1
[M+Na-2H]-	144.05432	130.1
[M]+	123.07910	125.9
[M]-	123.08020	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe