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

3
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 127.4
[M+Na]+ 147.05288 139.0
[M-H]- 123.05638 133.4
[M+NH4]+ 142.09748 142.9
[M+K]+ 163.02682 137.8
[M+H-H2O]+ 107.06092 120.0
[M+HCOO]- 169.06186 150.5
[M+CH3COO]- 183.07751 141.9
[M+Na-2H]- 145.03833 134.6
[M]+ 124.06311 131.2
[M]- 124.06421 131.2
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