CID 88771465

2-(2-nitroethenyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=CN=C(N1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O2/c9-8(10)4-1-5-6-2-3-7-5/h1-4H,(H,6,7)/b4-1+
InChIKey
RCHUTZNXABCVOO-DAFODLJHSA-N
Compound name
2-[(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]+ 140.045456 125.1
[M+Na]+ 162.027398 132.8
[M-H]- 138.030904 125.0
[M+NH4]+ 157.072003 144.2
[M+K]+ 178.001338 126.9
[M+H-H2O]+ 122.035440 123.0
[M+HCOO]- 184.036381 149.0
[M+CH3COO]- 198.052031 161.5
[M+Na-2H]- 160.012846 133.9
[M]+ 139.03763142 121.2
[M]- 139.03872858 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