CID 25222

4-(4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1COCCN1C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKey
IAJDSUYFELYZCS-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

438
Patents

208.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.2
[M+Na]+ 231.074018 147.9
[M-H]- 207.077524 148.6
[M+NH4]+ 226.118623 158.0
[M+K]+ 247.047958 143.2
[M+H-H2O]+ 191.082060 139.8
[M+HCOO]- 253.083001 163.7
[M+CH3COO]- 267.098651 178.4
[M+Na-2H]- 229.059466 151.7
[M]+ 208.08425142 138.4
[M]- 208.08534858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe