CID 20251205

3-ethoxy-1h-pyrazole

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCOC1=CC=NN1
InChI
InChI=1S/C5H8N2O/c1-2-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
FERCPYFXAPMDOI-UHFFFAOYSA-N
Compound name
5-ethoxy-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

112.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.1
[M+Na]+ 135.05288 128.7
[M-H]- 111.05638 119.8
[M+NH4]+ 130.09748 141.2
[M+K]+ 151.02682 127.6
[M+H-H2O]+ 95.060920 113.6
[M+HCOO]- 157.06186 142.8
[M+CH3COO]- 171.07751 164.1
[M+Na-2H]- 133.03833 127.5
[M]+ 112.06311 119.8
[M]- 112.06421 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe