CID 10465354

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

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H9N3O4/c1-3-9-6(7(11)12)5(10(13)14)4(2)8-9/h3H2,1-2H3,(H,11,12)
InChIKey
XZQJNUKCAVEBHU-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-4-nitropyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

199.05931 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 139.4
[M+Na]+ 222.04853 150.0
[M+NH4]+ 217.09313 144.7
[M+K]+ 238.02247 151.5
[M-H]- 198.05203 138.7
[M+Na-2H]- 220.03398 141.9
[M]+ 199.05876 140.1
[M]- 199.05986 140.1
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