CID 23005583

1h-pyrazol-4-ylmethanamine

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

C1=C(C=NN1)CN

InChI

InChI=1S/C4H7N3/c5-1-4-2-6-7-3-4/h2-3H,1,5H2,(H,6,7)

InChIKey

LIDZELUIEIAIDJ-UHFFFAOYSA-N

Compound name

1H-pyrazol-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 97.063995 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]+	98.071271	116.4
[M+Na]+	120.053213	124.6
[M-H]-	96.056719	115.7
[M+NH4]+	115.097818	137.5
[M+K]+	136.027153	122.8
[M+H-H2O]+	80.061255	109.7
[M+HCOO]-	142.062196	139.6
[M+CH3COO]-	156.077846	163.2
[M+Na-2H]-	118.038661	123.7
[M]+	97.06344642	112.5
[M]-	97.06454358	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe