CID 24132

7504-65-6

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CC1CCC(CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H16N2O5/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h4,7-9,11H,2-3,5-6H2,1H3
InChIKey
JMHOHOCZHPQGRG-UHFFFAOYSA-N
Compound name
1-(4-methylcyclohexyl)oxy-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 164.3
[M+Na]+ 303.09515 177.0
[M+NH4]+ 298.13975 171.7
[M+K]+ 319.06909 176.0
[M-H]- 279.09865 170.2
[M+Na-2H]- 301.08060 169.6
[M]+ 280.10538 167.5
[M]- 280.10648 167.5
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.