CID 84820074

908860-66-2

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

C1CC2(C3=C1C=C(C=C3)C=O)OCCO2

InChI

InChI=1S/C12H12O3/c13-8-9-1-2-11-10(7-9)3-4-12(11)14-5-6-15-12/h1-2,7-8H,3-6H2

InChIKey

XWXCHFBHCGXDJI-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,1'-2,3-dihydroindene]-5'-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.07864 Da
Monoisotopic Mass: 1.0
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]+	205.08592	141.5
[M+Na]+	227.06786	150.3
[M-H]-	203.07136	149.6
[M+NH4]+	222.11246	164.7
[M+K]+	243.04180	149.7
[M+H-H2O]+	187.07590	137.5
[M+HCOO]-	249.07684	162.6
[M+CH3COO]-	263.09249	155.9
[M+Na-2H]-	225.05331	148.0
[M]+	204.07809	142.3
[M]-	204.07919	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe