CID 96872

4-(5-nitropyridin-2-yl)morpholine

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1COCCN1C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c13-12(14)8-1-2-9(10-7-8)11-3-5-15-6-4-11/h1-2,7H,3-6H2
InChIKey
FYJXIPHXFGFEGT-UHFFFAOYSA-N
Compound name
4-(5-nitropyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

318
Patents

209.08005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 142.7
[M+Na]+ 232.06927 147.8
[M-H]- 208.07277 146.8
[M+NH4]+ 227.11387 156.0
[M+K]+ 248.04321 143.1
[M+H-H2O]+ 192.07731 138.4
[M+HCOO]- 254.07825 162.2
[M+CH3COO]- 268.09390 178.2
[M+Na-2H]- 230.05472 151.9
[M]+ 209.07950 137.9
[M]- 209.08060 137.9
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