CID 130803030

2-(1,3-dioxolan-2-yl)-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C11H12O3
SMILES
C1COC(O1)C2CC3=CC=CC=C3O2
InChI
InChI=1S/C11H12O3/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10-11H,5-7H2
InChIKey
RFLDIRUTBNCJSY-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 137.6
[M+Na]+ 215.06786 144.9
[M-H]- 191.07136 146.9
[M+NH4]+ 210.11246 157.4
[M+K]+ 231.04180 146.4
[M+H-H2O]+ 175.07590 133.6
[M+HCOO]- 237.07684 157.9
[M+CH3COO]- 251.09249 151.9
[M+Na-2H]- 213.05331 143.7
[M]+ 192.07809 138.3
[M]- 192.07919 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.