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

3
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 125.1
[M+Na]+ 162.02740 132.8
[M-H]- 138.03090 125.0
[M+NH4]+ 157.07200 144.2
[M+K]+ 178.00134 126.9
[M+H-H2O]+ 122.03544 123.0
[M+HCOO]- 184.03638 149.0
[M+CH3COO]- 198.05203 161.5
[M+Na-2H]- 160.01285 133.9
[M]+ 139.03763 121.2
[M]- 139.03873 121.2
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