CID 90485999

1-methyl-4-nitro-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C4H5N3O3
SMILES
CN1C=C(C(=O)N1)[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O3/c1-6-2-3(7(9)10)4(8)5-6/h2H,1H3,(H,5,8)
InChIKey
FERLTMWGMBPYCM-UHFFFAOYSA-N
Compound name
2-methyl-4-nitro-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.0331 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 122.6
[M+Na]+ 166.022318 132.5
[M-H]- 142.025824 123.5
[M+NH4]+ 161.066923 142.1
[M+K]+ 181.996258 127.0
[M+H-H2O]+ 126.030360 121.2
[M+HCOO]- 188.031301 147.1
[M+CH3COO]- 202.046951 163.4
[M+Na-2H]- 164.007766 130.9
[M]+ 143.03255142 120.6
[M]- 143.03364858 120.6
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