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

0
Patents

241.05864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06592 147.6
[M+Na]+ 264.04786 155.7
[M-H]- 240.05136 152.0
[M+NH4]+ 259.09246 164.6
[M+K]+ 280.02180 151.9
[M+H-H2O]+ 224.05590 146.0
[M+HCOO]- 286.05684 173.0
[M+CH3COO]- 300.07249 186.5
[M+Na-2H]- 262.03331 153.4
[M]+ 241.05809 152.0
[M]- 241.05919 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

No patent data available for this compound.