CID 152327

21056-78-0

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1=C(C=NN1)CCCN

InChI

InChI=1S/C6H11N3/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2,(H,8,9)

InChIKey

NKPUYKJNDVFPCP-UHFFFAOYSA-N

Compound name

3-(1H-pyrazol-4-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 46
Patents: 125.0953 Da
Monoisotopic Mass: 0.2
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	125.4
[M+Na]+	148.08452	132.7
[M-H]-	124.08802	124.4
[M+NH4]+	143.12912	145.4
[M+K]+	164.05846	130.4
[M+H-H2O]+	108.09256	118.3
[M+HCOO]-	170.09350	148.0
[M+CH3COO]-	184.10915	169.3
[M+Na-2H]-	146.06997	131.7
[M]+	125.09475	122.3
[M]-	125.09585	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe