CID 23005583

(1h-pyrazol-4-yl)methanamine

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: 194
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	116.5
[M+Na]+	120.05321	126.8
[M+NH4]+	115.09782	124.5
[M+K]+	136.02715	123.6
[M-H]-	96.056719	116.9
[M+Na-2H]-	118.03866	122.4
[M]+	97.063446	117.7
[M]-	97.064544	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe