CID 135605602

Stl600215

Structural Information

Molecular Formula
C11H13N3O4
SMILES
C1COCCN1/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C11H13N3O4/c15-11-2-1-10(14(16)17)7-9(11)8-12-13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2/b12-8+
InChIKey
BEDZXANQXLWQBM-XYOKQWHBSA-N
Compound name
2-[(E)-morpholin-4-yliminomethyl]-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 153.2
[M+Na]+ 274.07982 157.6
[M-H]- 250.08332 158.7
[M+NH4]+ 269.12442 165.9
[M+K]+ 290.05376 152.4
[M+H-H2O]+ 234.08786 149.1
[M+HCOO]- 296.08880 174.7
[M+CH3COO]- 310.10445 187.9
[M+Na-2H]- 272.06527 161.2
[M]+ 251.09005 148.9
[M]- 251.09115 148.9
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

No patent data available for this compound.