CID 68602893

3-isopropoxy-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(C)OC1=CC=NN1

InChI

InChI=1S/C6H10N2O/c1-5(2)9-6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)

InChIKey

MVHJDJIICMGNQT-UHFFFAOYSA-N

Compound name

5-propan-2-yloxy-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 126.079315 Da
Monoisotopic Mass: 1.3
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]+	127.08659	125.5
[M+Na]+	149.06853	136.2
[M+NH4]+	144.11314	133.1
[M+K]+	165.04247	133.2
[M-H]-	125.07204	125.1
[M+Na-2H]-	147.05398	130.7
[M]+	126.07877	126.6
[M]-	126.07986	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe