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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.06592	148.3
[M+Na]+	264.04786	160.0
[M+NH4]+	259.09246	154.1
[M+K]+	280.02180	159.0
[M-H]-	240.05136	149.2
[M+Na-2H]-	262.03331	152.0
[M]+	241.05809	149.8
[M]-	241.05919	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe