CID 10931394

1-ethyl-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCN1C=CC(=O)N1
InChI
InChI=1S/C5H8N2O/c1-2-7-4-3-5(8)6-7/h3-4H,2H2,1H3,(H,6,8)
InChIKey
FEMMUBXQRZJIIE-UHFFFAOYSA-N
Compound name
2-ethyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

112.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 119.2
[M+Na]+ 135.052878 129.0
[M-H]- 111.056384 119.3
[M+NH4]+ 130.097483 140.6
[M+K]+ 151.026818 127.3
[M+H-H2O]+ 95.060920 113.0
[M+HCOO]- 157.061861 142.0
[M+CH3COO]- 171.077511 164.4
[M+Na-2H]- 133.038326 125.8
[M]+ 112.06311142 118.6
[M]- 112.06420858 118.6
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

patents stripe