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 131.5
[M+Na]+ 179.07909 140.7
[M-H]- 155.08259 132.6
[M+NH4]+ 174.12369 152.0
[M+K]+ 195.05303 140.1
[M+H-H2O]+ 139.08713 124.9
[M+HCOO]- 201.08807 154.0
[M+CH3COO]- 215.10372 176.6
[M+Na-2H]- 177.06454 135.9
[M]+ 156.08932 133.9
[M]- 156.09042 133.9
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