CID 55288542

1-(5-methyl-1h-pyrazol-3-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=CC(=NN1)C(C)N

InChI

InChI=1S/C6H11N3/c1-4-3-6(5(2)7)9-8-4/h3,5H,7H2,1-2H3,(H,8,9)

InChIKey

NYHQQFLQNZBQGE-UHFFFAOYSA-N

Compound name

1-(5-methyl-1H-pyrazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 125.0953 Da
Monoisotopic Mass: -0.1
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	126.4
[M+Na]+	148.08452	134.5
[M-H]-	124.08802	126.0
[M+NH4]+	143.12912	146.8
[M+K]+	164.05846	132.6
[M+H-H2O]+	108.09256	119.8
[M+HCOO]-	170.09350	148.0
[M+CH3COO]-	184.10915	171.2
[M+Na-2H]-	146.06997	130.7
[M]+	125.09475	123.0
[M]-	125.09585	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe