CID 201990

3-propyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CCCC1=CC=NN1

InChI

InChI=1S/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)

InChIKey

QBNRQCHCKIIYGV-UHFFFAOYSA-N

Compound name

5-propyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 174
References: 420
Patents: 110.0844 Da
Monoisotopic Mass: 1.4
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	122.1
[M+Na]+	133.07362	133.6
[M+NH4]+	128.11822	130.5
[M+K]+	149.04756	129.3
[M-H]-	109.07712	122.4
[M+Na-2H]-	131.05907	128.2
[M]+	110.08385	123.6
[M]-	110.08495	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe