CID 3057077

Imidazole, 4-(4-methylpiperidino)-5-nitro-

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CC1CCN(CC1)C2=C(NC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H14N4O2/c1-7-2-4-12(5-3-7)8-9(13(14)15)11-6-10-8/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
XOKFAXKYFQPESM-UHFFFAOYSA-N
Compound name
4-methyl-1-(5-nitro-1H-imidazol-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 145.7
[M+Na]+ 233.10090 151.2
[M-H]- 209.10440 146.9
[M+NH4]+ 228.14550 160.4
[M+K]+ 249.07484 144.3
[M+H-H2O]+ 193.10894 141.6
[M+HCOO]- 255.10988 163.9
[M+CH3COO]- 269.12553 177.1
[M+Na-2H]- 231.08635 150.8
[M]+ 210.11113 138.5
[M]- 210.11223 138.5
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

No patent data available for this compound.