CID 12603681

1-(oxiran-2-ylmethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1C(O1)CN2C=CC=N2
InChI
InChI=1S/C6H8N2O/c1-2-7-8(3-1)4-6-5-9-6/h1-3,6H,4-5H2
InChIKey
KNNLVTFDVNTISF-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 127.4
[M+Na]+ 147.052878 138.1
[M-H]- 123.056384 133.0
[M+NH4]+ 142.097483 142.5
[M+K]+ 163.026818 137.1
[M+H-H2O]+ 107.060920 119.7
[M+HCOO]- 169.061861 150.6
[M+CH3COO]- 183.077511 141.6
[M+Na-2H]- 145.038326 135.3
[M]+ 124.06311142 130.8
[M]- 124.06420858 130.8
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