CID 3018264

Methyl 3,4-dimethoxy-2-nitrobenzoate

Structural Information

Molecular Formula
C10H11NO6
SMILES
COC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OC
InChI
InChI=1S/C10H11NO6/c1-15-7-5-4-6(10(12)17-3)8(11(13)14)9(7)16-2/h4-5H,1-3H3
InChIKey
ZGIUTJWCSIHWGS-UHFFFAOYSA-N
Compound name
methyl 3,4-dimethoxy-2-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.05864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.065916 147.6
[M+Na]+ 264.047858 155.7
[M-H]- 240.051364 152.0
[M+NH4]+ 259.092463 164.6
[M+K]+ 280.021798 151.9
[M+H-H2O]+ 224.055900 146.0
[M+HCOO]- 286.056841 173.0
[M+CH3COO]- 300.072491 186.5
[M+Na-2H]- 262.033306 153.4
[M]+ 241.05809142 152.0
[M]- 241.05918858 152.0
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