CID 3790357

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

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=CC(=NN1)OC
InChI
InChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKey
GZWAVQOMDAZDIT-UHFFFAOYSA-N
Compound name
3-methoxy-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

112.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.8
[M+Na]+ 135.05288 129.4
[M-H]- 111.05638 119.9
[M+NH4]+ 130.09748 141.3
[M+K]+ 151.02682 128.3
[M+H-H2O]+ 95.060920 113.7
[M+HCOO]- 157.06186 142.6
[M+CH3COO]- 171.07751 165.2
[M+Na-2H]- 133.03833 126.6
[M]+ 112.06311 119.9
[M]- 112.06421 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe