CID 110187

68400-49-7

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CC(C)OC1=CC(=C(C=C1N2CCOCC2)OC(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H24N2O5/c1-11(2)22-15-10-14(18(19)20)16(23-12(3)4)9-13(15)17-5-7-21-8-6-17/h9-12H,5-8H2,1-4H3
InChIKey
QKOQWHQAZFRCQI-UHFFFAOYSA-N
Compound name
4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 174.0
[M+Na]+ 347.15774 185.3
[M+NH4]+ 342.20234 179.9
[M+K]+ 363.13168 183.7
[M-H]- 323.16124 178.6
[M+Na-2H]- 345.14319 177.7
[M]+ 324.16797 176.6
[M]- 324.16907 176.6
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.