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 158.6
[M+Na]+ 291.09515 163.9
[M-H]- 267.09865 164.4
[M+NH4]+ 286.13975 171.3
[M+K]+ 307.06909 159.8
[M+H-H2O]+ 251.10319 154.7
[M+HCOO]- 313.10413 178.7
[M+CH3COO]- 327.11978 191.1
[M+Na-2H]- 289.08060 165.1
[M]+ 268.10538 158.0
[M]- 268.10648 158.0
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