CID 3017361

1-(2-methoxyethoxy)-2-nitrobenzene

Structural Information

Molecular Formula
C9H11NO4
SMILES
COCCOC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H11NO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3
InChIKey
DJTJGNJDSIOAOS-UHFFFAOYSA-N
Compound name
1-(2-methoxyethoxy)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

197.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.1
[M+Na]+ 220.058018 147.1
[M-H]- 196.061524 143.9
[M+NH4]+ 215.102623 158.6
[M+K]+ 236.031958 142.5
[M+H-H2O]+ 180.066060 138.5
[M+HCOO]- 242.067001 166.3
[M+CH3COO]- 256.082651 177.9
[M+Na-2H]- 218.043466 148.4
[M]+ 197.06825142 142.1
[M]- 197.06934858 142.1
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.