CID 671225

400877-05-6

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CN1C=C(C=N1)CN

InChI

InChI=1S/C5H9N3/c1-8-4-5(2-6)3-7-8/h3-4H,2,6H2,1H3

InChIKey

KFTRXTSNTQSGNE-UHFFFAOYSA-N

Compound name

(1-methylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 690
Patents: 111.07965 Da
Monoisotopic Mass: -0.9
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]+	112.08693	120.5
[M+Na]+	134.06887	131.5
[M+NH4]+	129.11347	128.7
[M+K]+	150.04281	128.0
[M-H]-	110.07237	121.4
[M+Na-2H]-	132.05432	126.5
[M]+	111.07910	122.0
[M]-	111.08020	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe