CID 11401182

5-ethyl-4-nitro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CCC1=C(C(=NN1)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4/c1-2-3-5(9(12)13)4(6(10)11)8-7-3/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey
UDYWTLMYXXTHKR-UHFFFAOYSA-N
Compound name
5-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

185.04366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 135.0
[M+Na]+ 208.03288 144.9
[M+NH4]+ 203.07748 140.2
[M+K]+ 224.00682 146.8
[M-H]- 184.03638 133.8
[M+Na-2H]- 206.01833 137.5
[M]+ 185.04311 135.4
[M]- 185.04421 135.4
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