CID 565445

179873-43-9

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CNCC1=CN(N=C1)C

InChI

InChI=1S/C6H11N3/c1-7-3-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3

InChIKey

LEHGOSZFUSOULZ-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-methylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 125.0953 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]+	126.10258	125.0
[M+Na]+	148.08452	136.1
[M+NH4]+	143.12912	133.2
[M+K]+	164.05846	132.2
[M-H]-	124.08802	126.1
[M+Na-2H]-	146.06997	131.2
[M]+	125.09475	126.7
[M]-	125.09585	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe