CID 71758089

1-(2-methoxyethyl)-3-methyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H12N2O2/c1-6-5-7(10)9(8-6)3-4-11-2/h3-5H2,1-2H3

InChIKey

GNMGHXWVDFHKIZ-UHFFFAOYSA-N

Compound name

2-(2-methoxyethyl)-5-methyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.08987 Da
Monoisotopic Mass: -0.3
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]+	157.09715	133.2
[M+Na]+	179.07909	144.0
[M+NH4]+	174.12369	140.3
[M+K]+	195.05303	140.7
[M-H]-	155.08259	132.6
[M+Na-2H]-	177.06454	137.2
[M]+	156.08932	134.3
[M]-	156.09042	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe