CID 106570

4-(2-ethoxy-5-methyl-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C)N2CCOCC2
InChI
InChI=1S/C13H18N2O4/c1-3-19-13-9-11(15(16)17)10(2)8-12(13)14-4-6-18-7-5-14/h8-9H,3-7H2,1-2H3
InChIKey
WJPHGAWNECZFCC-UHFFFAOYSA-N
Compound name
4-(2-ethoxy-5-methyl-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 158.9
[M+Na]+ 289.11587 172.1
[M+NH4]+ 284.16047 166.2
[M+K]+ 305.08981 168.9
[M-H]- 265.11937 164.5
[M+Na-2H]- 287.10132 164.4
[M]+ 266.12610 162.2
[M]- 266.12720 162.2
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