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

17
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 127.4
[M+Na]+ 147.05288 138.1
[M-H]- 123.05638 133.0
[M+NH4]+ 142.09748 142.5
[M+K]+ 163.02682 137.1
[M+H-H2O]+ 107.06092 119.7
[M+HCOO]- 169.06186 150.6
[M+CH3COO]- 183.07751 141.6
[M+Na-2H]- 145.03833 135.3
[M]+ 124.06311 130.8
[M]- 124.06421 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