CID 4306367

3,5-diethyl-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CCC1=CC(=NN1)CC

InChI

InChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

UFLLSVUGUWBXJA-UHFFFAOYSA-N

Compound name

3,5-diethyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 499
Patents: 124.10005 Da
Monoisotopic Mass: 1.9
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]+	125.10733	126.3
[M+Na]+	147.08927	138.0
[M+NH4]+	142.13387	134.5
[M+K]+	163.06321	133.6
[M-H]-	123.09277	126.6
[M+Na-2H]-	145.07472	131.9
[M]+	124.09950	127.9
[M]-	124.10060	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe