CID 20352856

3-(1h-pyrazol-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1=C(NN=C1)CCCN

InChI

InChI=1S/C6H11N3/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4,7H2,(H,8,9)

InChIKey

HZOIHLSZMGDITC-UHFFFAOYSA-N

Compound name

3-(1H-pyrazol-5-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
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	125.4
[M+Na]+	148.08452	135.3
[M+NH4]+	143.12912	133.1
[M+K]+	164.05846	131.7
[M-H]-	124.08802	125.7
[M+Na-2H]-	146.06997	130.8
[M]+	125.09475	126.5
[M]-	125.09585	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe