CID 19793914

33522-15-5

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC1(C=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H10O3/c12-6-11(3-4-11)8-1-2-9-10(5-8)14-7-13-9/h1-2,5-6H,3-4,7H2

InChIKey

HMUCNHQJQSOIQC-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 190.06299 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]+	191.07027	137.1
[M+Na]+	213.05221	148.1
[M-H]-	189.05571	147.2
[M+NH4]+	208.09681	154.0
[M+K]+	229.02615	148.3
[M+H-H2O]+	173.06025	132.1
[M+HCOO]-	235.06119	158.6
[M+CH3COO]-	249.07684	151.8
[M+Na-2H]-	211.03766	146.3
[M]+	190.06244	142.6
[M]-	190.06354	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe