CID 2063485

39562-22-6

Structural Information

Molecular Formula
C14H15NO6
SMILES
CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCOC
InChI
InChI=1S/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3/b13-9+
InChIKey
UVZJPCAZMGLNTB-UKTHLTGXSA-N
Compound name
2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

293.08994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 163.5
[M+Na]+ 316.07916 173.5
[M+NH4]+ 311.12376 168.1
[M+K]+ 332.05310 172.4
[M-H]- 292.08266 163.7
[M+Na-2H]- 314.06461 166.4
[M]+ 293.08939 164.4
[M]- 293.09049 164.4
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