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]+ 140.04546 124.3
[M+Na]+ 162.02740 133.4
[M-H]- 138.03090 126.0
[M+NH4]+ 157.07200 144.4
[M+K]+ 178.00134 128.3
[M+H-H2O]+ 122.03544 122.3
[M+HCOO]- 184.03638 149.7
[M+CH3COO]- 198.05203 166.1
[M+Na-2H]- 160.01285 133.0
[M]+ 139.03763 122.8
[M]- 139.03873 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