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

172
Patents

112.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 118.8
[M+Na]+ 135.052878 128.9
[M-H]- 111.056384 120.3
[M+NH4]+ 130.097483 141.1
[M+K]+ 151.026818 128.7
[M+H-H2O]+ 95.060920 112.5
[M+HCOO]- 157.061861 143.1
[M+CH3COO]- 171.077511 167.9
[M+Na-2H]- 133.038326 126.1
[M]+ 112.06311142 120.9
[M]- 112.06420858 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