CID 67064

1,4-diethoxy-2-nitrobenzene

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOC1=CC(=C(C=C1)OCC)[N+](=O)[O-]
InChI
InChI=1S/C10H13NO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7H,3-4H2,1-2H3
InChIKey
AUCRWWWSFGZHBK-UHFFFAOYSA-N
Compound name
1,4-diethoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

211.08446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 143.3
[M+Na]+ 234.07368 156.5
[M+NH4]+ 229.11828 151.0
[M+K]+ 250.04762 153.1
[M-H]- 210.07718 146.2
[M+Na-2H]- 232.05913 149.3
[M]+ 211.08391 145.8
[M]- 211.08501 145.8
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