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
2
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]+ 267.133926 160.6
[M+Na]+ 289.115868 165.7
[M-H]- 265.119374 166.2
[M+NH4]+ 284.160473 173.5
[M+K]+ 305.089808 160.8
[M+H-H2O]+ 249.123910 156.8
[M+HCOO]- 311.124851 180.3
[M+CH3COO]- 325.140501 191.9
[M+Na-2H]- 287.101316 166.4
[M]+ 266.12610142 159.0
[M]- 266.12719858 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