CID 78035

1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₃H₅N₃

SMILES

C1=C(C=NN1)N

InChI

InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)

InChIKey

AXINVSXSGNSVLV-UHFFFAOYSA-N

Compound name

1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3887
Patents: 83.04835 Da
Monoisotopic Mass: -1.1
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]+	84.055626	111.9
[M+Na]+	106.03757	120.5
[M-H]-	82.041074	111.4
[M+NH4]+	101.08217	133.6
[M+K]+	122.01151	119.0
[M+H-H2O]+	66.045610	105.4
[M+HCOO]-	128.04655	135.4
[M+CH3COO]-	142.06220	160.1
[M+Na-2H]-	104.02302	119.7
[M]+	83.047801	107.7
[M]-	83.048899	107.7

Literature stripe

literature stripe

Patent stripe

patents stripe