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

1
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 137.6
[M+Na]+ 215.067858 144.9
[M-H]- 191.071364 146.9
[M+NH4]+ 210.112463 157.4
[M+K]+ 231.041798 146.4
[M+H-H2O]+ 175.075900 133.6
[M+HCOO]- 237.076841 157.9
[M+CH3COO]- 251.092491 151.9
[M+Na-2H]- 213.053306 143.7
[M]+ 192.07809142 138.3
[M]- 192.07918858 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

patents stripe