CID 5324776

4-methoxy-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C4H6N2O
SMILES
COC1=CNN=C1
InChI
InChI=1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKey
NCFMDIJKEYGCRD-UHFFFAOYSA-N
Compound name
4-methoxy-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

565
Patents

98.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 115.5
[M+Na]+ 121.03723 124.5
[M-H]- 97.040734 115.3
[M+NH4]+ 116.08183 137.2
[M+K]+ 137.01117 123.7
[M+H-H2O]+ 81.045270 109.2
[M+HCOO]- 143.04621 138.5
[M+CH3COO]- 157.06186 161.1
[M+Na-2H]- 119.02268 123.5
[M]+ 98.047461 114.8
[M]- 98.048559 114.8
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