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

40
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 165.3
[M+Na]+ 316.07916 170.0
[M-H]- 292.08266 168.4
[M+NH4]+ 311.12376 179.3
[M+K]+ 332.05310 165.1
[M+H-H2O]+ 276.08720 162.9
[M+HCOO]- 338.08814 187.8
[M+CH3COO]- 352.10379 195.0
[M+Na-2H]- 314.06461 167.8
[M]+ 293.08939 167.6
[M]- 293.09049 167.6
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