CID 6483888

1-(1h-pyrazol-1-yl)propan-2-amine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC(CN1C=CC=N1)N

InChI

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

InChIKey

UWVUXGHAXNILPG-UHFFFAOYSA-N

Compound name

1-pyrazol-1-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 85
Patents: 125.0953 Da
Monoisotopic Mass: -1.0
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	125.7
[M+Na]+	148.084518	133.2
[M-H]-	124.088024	126.2
[M+NH4]+	143.129123	146.4
[M+K]+	164.058458	132.3
[M+H-H2O]+	108.092560	118.5
[M+HCOO]-	170.093501	148.8
[M+CH3COO]-	184.109151	172.7
[M+Na-2H]-	146.069966	131.2
[M]+	125.09475142	123.8
[M]-	125.09584858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe