CID 237414

7477-52-3

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

C1C(C1C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H10O4/c12-11(13)8-4-7(8)6-1-2-9-10(3-6)15-5-14-9/h1-3,7-8H,4-5H2,(H,12,13)

InChIKey

SEACYFQFBLSTIZ-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 206.0579 Da
Monoisotopic Mass: 1.5
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]+	207.06518	138.7
[M+Na]+	229.04712	149.0
[M-H]-	205.05062	147.5
[M+NH4]+	224.09172	152.5
[M+K]+	245.02106	148.0
[M+H-H2O]+	189.05516	133.4
[M+HCOO]-	251.05610	158.3
[M+CH3COO]-	265.07175	185.2
[M+Na-2H]-	227.03257	144.9
[M]+	206.05735	143.4
[M]-	206.05845	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe