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

literature stripe

Patent stripe

patents stripe