CID 4962728

61948-83-2

Structural Information

Molecular Formula
C10H11NO6
SMILES
CCOC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
InChI
InChI=1S/C10H11NO6/c1-3-17-9-4-6(10(12)13)7(11(14)15)5-8(9)16-2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKey
HVTHICJFQQKQDW-UHFFFAOYSA-N
Compound name
5-ethoxy-4-methoxy-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

241.05864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06592 147.5
[M+Na]+ 264.04786 155.1
[M-H]- 240.05136 150.5
[M+NH4]+ 259.09246 163.8
[M+K]+ 280.02180 150.4
[M+H-H2O]+ 224.05590 146.1
[M+HCOO]- 286.05684 171.4
[M+CH3COO]- 300.07249 184.5
[M+Na-2H]- 262.03331 152.9
[M]+ 241.05809 150.2
[M]- 241.05919 150.2
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