CID 19619402

1-(1-methyl-4-nitro-1h-pyrazol-5-yl)ethanone

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC(=O)C1=C(C=NN1C)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c1-4(10)6-5(9(11)12)3-7-8(6)2/h3H,1-2H3
InChIKey
IEPWZWOJPQMRHI-UHFFFAOYSA-N
Compound name
1-(2-methyl-4-nitropyrazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.04874 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 131.6
[M+Na]+ 192.03796 143.1
[M+NH4]+ 187.08256 138.1
[M+K]+ 208.01190 143.7
[M-H]- 168.04146 132.0
[M+Na-2H]- 190.02341 135.7
[M]+ 169.04819 132.9
[M]- 169.04929 132.9
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