CID 62727070

1342025-30-2

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC1=C(C(=NN1CCOC)C)C(=O)C
InChI
InChI=1S/C10H16N2O2/c1-7-10(9(3)13)8(2)12(11-7)5-6-14-4/h5-6H2,1-4H3
InChIKey
GMRIBPHVOLHNPC-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 142.9
[M+Na]+ 219.11041 152.6
[M-H]- 195.11391 144.5
[M+NH4]+ 214.15501 162.2
[M+K]+ 235.08435 151.4
[M+H-H2O]+ 179.11845 136.3
[M+HCOO]- 241.11939 164.9
[M+CH3COO]- 255.13504 187.3
[M+Na-2H]- 217.09586 144.9
[M]+ 196.12064 147.6
[M]- 196.12174 147.6
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

No patent data available for this compound.