CID 137887640

1-methyl-5-(oxiran-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C6H8N2O
SMILES
CN1C(=CC=N1)C2CO2
InChI
InChI=1S/C6H8N2O/c1-8-5(2-3-7-8)6-4-9-6/h2-3,6H,4H2,1H3
InChIKey
CMUZKDWFFKAVOP-UHFFFAOYSA-N
Compound name
1-methyl-5-(oxiran-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

124.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 126.5
[M+Na]+ 147.05288 140.5
[M+NH4]+ 142.09748 135.5
[M+K]+ 163.02682 138.1
[M-H]- 123.05638 136.3
[M+Na-2H]- 145.03833 135.5
[M]+ 124.06311 132.3
[M]- 124.06421 132.3
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