CID 22929644

Methyl(1h-pyrazol-4-ylmethyl)amine dihydrochloride

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CNCC1=CNN=C1

InChI

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

InChIKey

NJHKMGYIXSECKA-UHFFFAOYSA-N

Compound name

N-methyl-1-(1H-pyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 111.07965 Da
Monoisotopic Mass: -0.4
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	121.0
[M+Na]+	134.06887	131.4
[M+NH4]+	129.11347	129.0
[M+K]+	150.04281	127.8
[M-H]-	110.07237	121.5
[M+Na-2H]-	132.05432	127.1
[M]+	111.07910	122.3
[M]-	111.08020	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe