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

50
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

literature stripe

Patent stripe

patents stripe