CID 23279527

117451-93-1

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C=CN1C=C(C=N1)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O2/c1-2-7-4-5(3-6-7)8(9)10/h2-4H,1H2
InChIKey
JGGBJLCPFMBNDY-UHFFFAOYSA-N
Compound name
1-ethenyl-4-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.03818 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 124.3
[M+Na]+ 162.027398 133.4
[M-H]- 138.030904 126.0
[M+NH4]+ 157.072003 144.4
[M+K]+ 178.001338 128.3
[M+H-H2O]+ 122.035440 122.3
[M+HCOO]- 184.036381 149.7
[M+CH3COO]- 198.052031 166.1
[M+Na-2H]- 160.012846 133.0
[M]+ 139.03763142 122.8
[M]- 139.03872858 122.8
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