CID 6437104

1h-imidazole, 1-methyl-2-nitro-5-(2-nitro-1-hexenyl)-

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]+ 255.108776 159.4
[M+Na]+ 277.090718 165.2
[M-H]- 253.094224 160.8
[M+NH4]+ 272.135323 173.5
[M+K]+ 293.064658 155.4
[M+H-H2O]+ 237.098760 160.8
[M+HCOO]- 299.099701 182.4
[M+CH3COO]- 313.115351 184.8
[M+Na-2H]- 275.076166 165.4
[M]+ 254.10095142 157.3
[M]- 254.10204858 157.3
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.