CID 10313108

106903-47-3

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCN1C(=O)C=CN1
InChI
InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6-7/h3-4,6H,2H2,1H3
InChIKey
QZVRXWBKQJFSLP-UHFFFAOYSA-N
Compound name
2-ethyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

112.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.2
[M+Na]+ 135.05288 129.0
[M-H]- 111.05638 119.3
[M+NH4]+ 130.09748 140.6
[M+K]+ 151.02682 127.3
[M+H-H2O]+ 95.060920 113.0
[M+HCOO]- 157.06186 142.0
[M+CH3COO]- 171.07751 164.4
[M+Na-2H]- 133.03833 125.8
[M]+ 112.06311 118.6
[M]- 112.06421 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