CID 19369216

5-[(e)-2-nitroethenyl]-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=C(NC=N1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O2/c9-8(10)2-1-5-3-6-4-7-5/h1-4H,(H,6,7)/b2-1+
InChIKey
VFCANXAVQUKARJ-OWOJBTEDSA-N
Compound name
5-[(E)-2-nitroethenyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.03818 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 124.7
[M+Na]+ 162.02740 136.0
[M+NH4]+ 157.07200 131.7
[M+K]+ 178.00134 135.4
[M-H]- 138.03090 125.2
[M+Na-2H]- 160.01285 129.7
[M]+ 139.03763 125.9
[M]- 139.03873 125.9
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

No patent data available for this compound.