CID 6437104

Brn 0924291

Structural Information

Molecular Formula
C10H14N4O4
SMILES
CCCC/C(=C\C1=CN=C(N1C)[N+](=O)[O-])/[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O4/c1-3-4-5-8(13(15)16)6-9-7-11-10(12(9)2)14(17)18/h6-7H,3-5H2,1-2H3/b8-6+
InChIKey
VNDAPXAHSWGLCJ-SOFGYWHQSA-N
Compound name
1-methyl-2-nitro-5-[(E)-2-nitrohex-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 159.8
[M+Na]+ 277.09072 166.4
[M+NH4]+ 272.13532 168.7
[M+K]+ 293.06466 175.8
[M-H]- 253.09422 155.8
[M+Na-2H]- 275.07617 158.9
[M]+ 254.10095 161.7
[M]- 254.10205 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.