CID 14003887

1-phenyl-5-propyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CCCC1=CC=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H14N2/c1-2-6-11-9-10-13-14(11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3

InChIKey

VICXKFLOMKMGEH-UHFFFAOYSA-N

Compound name

1-phenyl-5-propylpyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 186.11569 Da
Monoisotopic Mass: 3.1
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]+	187.12297	141.8
[M+Na]+	209.10491	156.1
[M+NH4]+	204.14951	150.9
[M+K]+	225.07885	149.8
[M-H]-	185.10841	145.4
[M+Na-2H]-	207.09036	151.1
[M]+	186.11514	144.9
[M]-	186.11624	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe