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

11
Patents

143.0331 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04038 122.6
[M+Na]+ 166.02232 132.5
[M-H]- 142.02582 123.5
[M+NH4]+ 161.06692 142.1
[M+K]+ 181.99626 127.0
[M+H-H2O]+ 126.03036 121.2
[M+HCOO]- 188.03130 147.1
[M+CH3COO]- 202.04695 163.4
[M+Na-2H]- 164.00777 130.9
[M]+ 143.03255 120.6
[M]- 143.03365 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