CID 17852315

3-methoxy-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=C(NN=C1)OC
InChI
InChI=1S/C5H8N2O/c1-4-3-6-7-5(4)8-2/h3H,1-2H3,(H,6,7)
InChIKey
QWIUBHUVCAXJGR-UHFFFAOYSA-N
Compound name
5-methoxy-4-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

112.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 119.8
[M+Na]+ 135.052878 129.4
[M-H]- 111.056384 119.9
[M+NH4]+ 130.097483 141.3
[M+K]+ 151.026818 128.3
[M+H-H2O]+ 95.060920 113.7
[M+HCOO]- 157.061861 142.6
[M+CH3COO]- 171.077511 165.2
[M+Na-2H]- 133.038326 126.6
[M]+ 112.06311142 119.9
[M]- 112.06420858 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

No literature data available for this compound.

Patent stripe

patents stripe