CID 6432868

Methyl 5-methyl-4-nitro-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CC1=C(C(=NN1)C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4/c1-3-5(9(11)12)4(8-7-3)6(10)13-2/h1-2H3,(H,7,8)
InChIKey
TVGRKMJIBFUENI-UHFFFAOYSA-N
Compound name
methyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.04366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 135.0
[M+Na]+ 208.03288 145.5
[M+NH4]+ 203.07748 140.5
[M+K]+ 224.00682 147.0
[M-H]- 184.03638 134.3
[M+Na-2H]- 206.01833 138.0
[M]+ 185.04311 135.7
[M]- 185.04421 135.7
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