CID 23005649

5-ethyl-1-methyl-1h-pyrazol-4-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CCC1=C(C=NN1C)N

InChI

InChI=1S/C6H11N3/c1-3-6-5(7)4-8-9(6)2/h4H,3,7H2,1-2H3

InChIKey

LTBJIMCRWXQMMM-UHFFFAOYSA-N

Compound name

5-ethyl-1-methylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	124.9
[M+Na]+	148.08452	136.1
[M+NH4]+	143.12912	132.9
[M+K]+	164.05846	132.6
[M-H]-	124.08802	125.9
[M+Na-2H]-	146.06997	130.4
[M]+	125.09475	126.5
[M]-	125.09585	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe