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]+ 125.070936 127.4
[M+Na]+ 147.052878 139.0
[M-H]- 123.056384 133.4
[M+NH4]+ 142.097483 142.9
[M+K]+ 163.026818 137.8
[M+H-H2O]+ 107.060920 120.0
[M+HCOO]- 169.061861 150.5
[M+CH3COO]- 183.077511 141.9
[M+Na-2H]- 145.038326 134.6
[M]+ 124.06311142 131.2
[M]- 124.06420858 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