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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe