CID 22107635

3-ethyl-1-methyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCC1=CC(=O)N(N1)C
InChI
InChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h4,7H,3H2,1-2H3
InChIKey
UOKSQBPRMSQGPH-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

126.079315 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 123.3
[M+Na]+ 149.068533 133.7
[M-H]- 125.072039 123.7
[M+NH4]+ 144.113138 144.6
[M+K]+ 165.042473 131.7
[M+H-H2O]+ 109.076575 117.4
[M+HCOO]- 171.077516 145.9
[M+CH3COO]- 185.093166 168.5
[M+Na-2H]- 147.053981 128.8
[M]+ 126.07876642 123.5
[M]- 126.07986358 123.5
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