CID 2768383

1-ethyl-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CCN1C(=CC(=N1)C)N

InChI

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

InChIKey

TZLVUWBGUNVFES-UHFFFAOYSA-N

Compound name

2-ethyl-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5109
Patents: 125.0953 Da
Monoisotopic Mass: 0.6
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	134.6
[M-H]-	124.08802	126.1
[M+NH4]+	143.12912	146.4
[M+K]+	164.05846	133.1
[M+H-H2O]+	108.09256	118.3
[M+HCOO]-	170.09350	149.0
[M+CH3COO]-	184.10915	174.1
[M+Na-2H]-	146.06997	130.2
[M]+	125.09475	124.5
[M]-	125.09585	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe