CID 12711096

1-propyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CCCN1C=CC=N1

InChI

InChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3

InChIKey

BDMFEFZOOOYCKN-UHFFFAOYSA-N

Compound name

1-propylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1121
Patents: 110.0844 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]+	111.09168	121.6
[M+Na]+	133.07362	133.7
[M+NH4]+	128.11822	130.4
[M+K]+	149.04756	129.0
[M-H]-	109.07712	122.5
[M+Na-2H]-	131.05907	128.4
[M]+	110.08385	123.4
[M]-	110.08495	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe