CID 143144

1-methyl-3-nitro-1h-pyrazole

Structural Information

Molecular Formula
C4H5N3O2
SMILES
CN1C=CC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3
InChIKey
KLAQNTBUXCCZHC-UHFFFAOYSA-N
Compound name
1-methyl-3-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

127.03818 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 120.4
[M+Na]+ 150.02740 129.6
[M-H]- 126.03090 122.2
[M+NH4]+ 145.07200 141.0
[M+K]+ 166.00134 125.4
[M+H-H2O]+ 110.03544 118.5
[M+HCOO]- 172.03638 146.0
[M+CH3COO]- 186.05203 164.2
[M+Na-2H]- 148.01285 129.6
[M]+ 127.03763 119.2
[M]- 127.03873 119.2
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