CID 6113665

38489-70-2

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

C1OC2=CC=CC(=C2O1)/C=C/C(=O)O

InChI

InChI=1S/C10H8O4/c11-9(12)5-4-7-2-1-3-8-10(7)14-6-13-8/h1-5H,6H2,(H,11,12)/b5-4+

InChIKey

NWSIULATLGKZGF-SNAWJCMRSA-N

Compound name

(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 192.04225 Da
Monoisotopic Mass: 1.7
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]+	193.04953	138.0
[M+Na]+	215.03147	149.3
[M+NH4]+	210.07607	145.5
[M+K]+	231.00541	146.8
[M-H]-	191.03497	140.9
[M+Na-2H]-	213.01692	141.0
[M]+	192.04170	140.2
[M]-	192.04280	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe