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 160.6
[M+Na]+ 289.11587 165.7
[M-H]- 265.11937 166.2
[M+NH4]+ 284.16047 173.5
[M+K]+ 305.08981 160.8
[M+H-H2O]+ 249.12391 156.8
[M+HCOO]- 311.12485 180.3
[M+CH3COO]- 325.14050 191.9
[M+Na-2H]- 287.10132 166.4
[M]+ 266.12610 159.0
[M]- 266.12720 159.0
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