CID 13899887

Trimethyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=C(NN(C1=O)C)C

InChI

InChI=1S/C6H10N2O/c1-4-5(2)7-8(3)6(4)9/h7H,1-3H3

InChIKey

ZZQIPPXPEIMART-UHFFFAOYSA-N

Compound name

2,4,5-trimethyl-1H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
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]+	127.08659	122.8
[M+Na]+	149.06853	134.1
[M-H]-	125.07204	123.5
[M+NH4]+	144.11314	144.4
[M+K]+	165.04247	132.0
[M+H-H2O]+	109.07658	117.2
[M+HCOO]-	171.07752	145.4
[M+CH3COO]-	185.09317	169.7
[M+Na-2H]-	147.05398	127.6
[M]+	126.07877	123.3
[M]-	126.07986	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe