CID 88505

6-nitroveratraldehyde

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
InChIKey
YWSPWKXREVSQCA-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1430
Patents

211.04807 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 140.9
[M+Na]+ 234.03729 154.1
[M+NH4]+ 229.08189 147.9
[M+K]+ 250.01123 151.7
[M-H]- 210.04079 143.1
[M+Na-2H]- 232.02274 146.3
[M]+ 211.04752 143.1
[M]- 211.04862 143.1
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