CID 13388425

5-methyl-1,4-dinitro-1h-imidazole

Structural Information

Molecular Formula

C₄H₄N₄O₄

SMILES

CC1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H4N4O4/c1-3-4(7(9)10)5-2-6(3)8(11)12/h2H,1H3

InChIKey

IHZJEUKQRREQAB-UHFFFAOYSA-N

Compound name

5-methyl-1,4-dinitroimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 172.02325 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.03053	131.8
[M+Na]+	195.01247	140.0
[M-H]-	171.01597	134.0
[M+NH4]+	190.05707	149.1
[M+K]+	210.98641	131.7
[M+H-H2O]+	155.02051	134.1
[M+HCOO]-	217.02145	157.5
[M+CH3COO]-	231.03710	168.2
[M+Na-2H]-	192.99792	141.9
[M]+	172.02270	129.0
[M]-	172.02380	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe