CID 65556205

1-tert-butyl-3,5-dimethyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CC1=C(C(=NN1C(C)(C)C)C)O

InChI

InChI=1S/C9H16N2O/c1-6-8(12)7(2)11(10-6)9(3,4)5/h12H,1-5H3

InChIKey

SOMLVRCMUNDKMD-UHFFFAOYSA-N

Compound name

1-tert-butyl-3,5-dimethylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.12627 Da
Monoisotopic Mass: 1.6
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]+	169.13355	138.3
[M+Na]+	191.11549	149.6
[M+NH4]+	186.16009	145.4
[M+K]+	207.08943	147.0
[M-H]-	167.11899	137.6
[M+Na-2H]-	189.10094	142.4
[M]+	168.12572	139.6
[M]-	168.12682	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe