CID 81388

4-(3-methoxy-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C11H14N2O4
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O4/c1-16-11-8-9(2-3-10(11)13(14)15)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3
InChIKey
YMXOMWAFFGHJFC-UHFFFAOYSA-N
Compound name
4-(3-methoxy-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

238.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 149.9
[M+Na]+ 261.08457 163.1
[M+NH4]+ 256.12917 157.5
[M+K]+ 277.05851 160.2
[M-H]- 237.08807 155.5
[M+Na-2H]- 259.07002 156.2
[M]+ 238.09480 153.2
[M]- 238.09590 153.2
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