CID 57986439

823225-70-3

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

C1COC2=C(C=C(C=C2O1)C#N)C(=O)O

InChI

InChI=1S/C10H7NO4/c11-5-6-3-7(10(12)13)9-8(4-6)14-1-2-15-9/h3-4H,1-2H2,(H,12,13)

InChIKey

QPLDPOAHODHBEP-UHFFFAOYSA-N

Compound name

7-cyano-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 205.0375 Da
Monoisotopic Mass: 0.9
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]+	206.04478	145.4
[M+Na]+	228.02672	157.0
[M+NH4]+	223.07132	149.4
[M+K]+	244.00066	149.5
[M-H]-	204.03022	141.3
[M+Na-2H]-	226.01217	146.4
[M]+	205.03695	144.9
[M]-	205.03805	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe