CID 246988

4-(2-hydroxyethyl)-3-methyl-2-pyrazolin-5-one

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC1=NNC(=O)C1CCO
InChI
InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)
InChIKey
GCKLKGJKIRVDQB-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

142.07423 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 129.0
[M+Na]+ 165.063448 137.8
[M-H]- 141.066954 127.5
[M+NH4]+ 160.108053 148.6
[M+K]+ 181.037388 135.5
[M+H-H2O]+ 125.071490 123.0
[M+HCOO]- 187.072431 148.7
[M+CH3COO]- 201.088081 168.3
[M+Na-2H]- 163.048896 132.9
[M]+ 142.07368142 127.2
[M]- 142.07477858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe