CID 11435991

Isodillapiole

Structural Information

Molecular Formula
C12H14O4
SMILES
C/C=C/C1=CC2=C(C(=C1OC)OC)OCO2
InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3/b5-4+
InChIKey
OEDZKYGAFWDLGE-SNAWJCMRSA-N
Compound name
4,5-dimethoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

222.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.2
[M+Na]+ 245.07842 158.7
[M+NH4]+ 240.12302 154.2
[M+K]+ 261.05236 155.2
[M-H]- 221.08192 150.2
[M+Na-2H]- 243.06387 149.4
[M]+ 222.08865 149.1
[M]- 222.08975 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe