CID 101048

4-(2,5-dimethoxy-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C12H16N2O5
SMILES
COC1=CC(=C(C=C1N2CCOCC2)OC)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O5/c1-17-11-8-10(14(15)16)12(18-2)7-9(11)13-3-5-19-6-4-13/h7-8H,3-6H2,1-2H3
InChIKey
IMMNPCLCFUZRHP-UHFFFAOYSA-N
Compound name
4-(2,5-dimethoxy-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

268.10593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 157.3
[M+Na]+ 291.09515 170.1
[M+NH4]+ 286.13975 164.1
[M+K]+ 307.06909 167.8
[M-H]- 267.09865 162.4
[M+Na-2H]- 289.08060 162.6
[M]+ 268.10538 160.3
[M]- 268.10648 160.3
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

patents stripe