CID 9504023

5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid

Structural Information

Molecular Formula
C11H13NO7
SMILES
COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC
InChI
InChI=1S/C11H13NO7/c1-17-3-4-19-10-6-8(12(15)16)7(11(13)14)5-9(10)18-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKey
IVXTUVDBRCQWGF-UHFFFAOYSA-N
Compound name
5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.0692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07648 154.9
[M+Na]+ 294.05842 161.8
[M-H]- 270.06192 157.6
[M+NH4]+ 289.10302 169.8
[M+K]+ 310.03236 157.5
[M+H-H2O]+ 254.06646 152.9
[M+HCOO]- 316.06740 178.6
[M+CH3COO]- 330.08305 189.7
[M+Na-2H]- 292.04387 160.0
[M]+ 271.06865 159.3
[M]- 271.06975 159.3
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

patents stripe