CID 17852300

3-methoxy-1h-pyrazole

Structural Information

Molecular Formula
C4H6N2O
SMILES
COC1=CC=NN1
InChI
InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKey
ZGSNZVRXASCXRP-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

98.04801 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.4
[M+Na]+ 121.03723 127.8
[M+NH4]+ 116.08183 124.5
[M+K]+ 137.01117 124.5
[M-H]- 97.040734 116.2
[M+Na-2H]- 119.02268 122.5
[M]+ 98.047461 117.7
[M]- 98.048559 117.7
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

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