CID 12498505

Trimethyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

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

InChI

InChI=1S/C6H10N2O/c1-4-6(9)5(2)8(3)7-4/h9H,1-3H3

InChIKey

HAJMFBQNIMHGFE-UHFFFAOYSA-N

Compound name

1,3,5-trimethylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 126.079315 Da
Monoisotopic Mass: 0.7
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]+	127.086591	123.6
[M+Na]+	149.068533	134.7
[M-H]-	125.072039	124.4
[M+NH4]+	144.113138	145.2
[M+K]+	165.042473	133.2
[M+H-H2O]+	109.076575	118.0
[M+HCOO]-	171.077516	146.0
[M+CH3COO]-	185.093166	170.5
[M+Na-2H]-	147.053981	128.4
[M]+	126.07876642	124.9
[M]-	126.07986358	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe