CID 12565207

3-ethyl-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CCC1=C(C=NN1)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O2/c1-2-4-5(8(9)10)3-6-7-4/h3H,2H2,1H3,(H,6,7)
InChIKey
IZKKZGVEYKHLBN-UHFFFAOYSA-N
Compound name
5-ethyl-4-nitro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

141.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 125.0
[M+Na]+ 164.04305 136.6
[M+NH4]+ 159.08765 132.2
[M+K]+ 180.01699 136.3
[M-H]- 140.04655 125.8
[M+Na-2H]- 162.02850 129.9
[M]+ 141.05328 126.4
[M]- 141.05438 126.4
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