CID 10679489

2,6-dimethoxy-4-nitrophenol

Structural Information

Molecular Formula
C8H9NO5
SMILES
COC1=CC(=CC(=C1O)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3
InChIKey
PDFATCIPSRONEB-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

199.04807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05535 136.8
[M+Na]+ 222.03729 145.4
[M-H]- 198.04079 140.1
[M+NH4]+ 217.08189 155.0
[M+K]+ 238.01123 140.7
[M+H-H2O]+ 182.04533 135.9
[M+HCOO]- 244.04627 162.0
[M+CH3COO]- 258.06192 176.4
[M+Na-2H]- 220.02274 144.2
[M]+ 199.04752 138.7
[M]- 199.04862 138.7
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

No patent data available for this compound.