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]+ 197.128466 142.9
[M+Na]+ 219.110408 152.6
[M-H]- 195.113914 144.5
[M+NH4]+ 214.155013 162.2
[M+K]+ 235.084348 151.4
[M+H-H2O]+ 179.118450 136.3
[M+HCOO]- 241.119391 164.9
[M+CH3COO]- 255.135041 187.3
[M+Na-2H]- 217.095856 144.9
[M]+ 196.12064142 147.6
[M]- 196.12173858 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.