CID 3157298

2191401-18-8

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=CC=NN1CCN

InChI

InChI=1S/C6H11N3/c1-6-2-4-8-9(6)5-3-7/h2,4H,3,5,7H2,1H3

InChIKey

PWGUGJCHHQGZGX-UHFFFAOYSA-N

Compound name

2-(5-methylpyrazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
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]+	126.102576	124.9
[M+Na]+	148.084518	133.6
[M-H]-	124.088024	125.7
[M+NH4]+	143.129123	146.0
[M+K]+	164.058458	132.2
[M+H-H2O]+	108.092560	117.9
[M+HCOO]-	170.093501	149.0
[M+CH3COO]-	184.109151	173.0
[M+Na-2H]-	146.069966	131.0
[M]+	125.09475142	124.1
[M]-	125.09584858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe