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
3
Annotation Hits

0
References

104
Patents

238.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.0
[M+Na]+ 261.084568 156.0
[M-H]- 237.088074 156.6
[M+NH4]+ 256.129173 164.7
[M+K]+ 277.058508 151.6
[M+H-H2O]+ 221.092610 147.3
[M+HCOO]- 283.093551 171.4
[M+CH3COO]- 297.109201 184.7
[M+Na-2H]- 259.070016 158.5
[M]+ 238.09480142 148.3
[M]- 238.09589858 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