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

121
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 151.0
[M+Na]+ 261.08457 156.0
[M-H]- 237.08807 156.6
[M+NH4]+ 256.12917 164.7
[M+K]+ 277.05851 151.6
[M+H-H2O]+ 221.09261 147.3
[M+HCOO]- 283.09355 171.4
[M+CH3COO]- 297.10920 184.7
[M+Na-2H]- 259.07002 158.5
[M]+ 238.09480 148.3
[M]- 238.09590 148.3
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