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

63
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 125.4
[M+Na]+ 164.04305 133.8
[M-H]- 140.04655 125.7
[M+NH4]+ 159.08765 144.8
[M+K]+ 180.01699 128.3
[M+H-H2O]+ 124.05109 123.6
[M+HCOO]- 186.05203 149.2
[M+CH3COO]- 200.06768 164.3
[M+Na-2H]- 162.02850 133.7
[M]+ 141.05328 122.7
[M]- 141.05438 122.7
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