CID 18622370

3-methoxy-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H8N2O
SMILES
CN1C=CC(=N1)OC
InChI
InChI=1S/C5H8N2O/c1-7-4-3-5(6-7)8-2/h3-4H,1-2H3
InChIKey
NSLWGDABVLNWBH-UHFFFAOYSA-N
Compound name
3-methoxy-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

112.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 118.8
[M+Na]+ 135.05288 128.9
[M-H]- 111.05638 120.3
[M+NH4]+ 130.09748 141.1
[M+K]+ 151.02682 128.7
[M+H-H2O]+ 95.060920 112.5
[M+HCOO]- 157.06186 143.1
[M+CH3COO]- 171.07751 167.9
[M+Na-2H]- 133.03833 126.1
[M]+ 112.06311 120.9
[M]- 112.06421 120.9
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