CID 10855544

31272-05-6

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)C1=NN(C(=O)C1)C
InChI
InChI=1S/C7H12N2O/c1-5(2)6-4-7(10)9(3)8-6/h5H,4H2,1-3H3
InChIKey
WPQPFSSBBYCLEA-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

140.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 128.7
[M+Na]+ 163.084178 137.8
[M-H]- 139.087684 130.0
[M+NH4]+ 158.128783 149.9
[M+K]+ 179.058118 137.1
[M+H-H2O]+ 123.092220 122.4
[M+HCOO]- 185.093161 150.0
[M+CH3COO]- 199.108811 175.4
[M+Na-2H]- 161.069626 132.0
[M]+ 140.09441142 129.1
[M]- 140.09550858 129.1
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