CID 4165828

3-methoxy-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C4H5N3O3
SMILES
COC1=C(C=NN1)[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6)
InChIKey
GLNYWXCDHONDOZ-UHFFFAOYSA-N
Compound name
5-methoxy-4-nitro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

143.0331 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 123.5
[M+Na]+ 166.022318 132.1
[M-H]- 142.025824 123.9
[M+NH4]+ 161.066923 142.6
[M+K]+ 181.996258 127.3
[M+H-H2O]+ 126.030360 121.6
[M+HCOO]- 188.031301 147.7
[M+CH3COO]- 202.046951 163.3
[M+Na-2H]- 164.007766 132.4
[M]+ 143.03255142 121.7
[M]- 143.03364858 121.7
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

patents stripe