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

6
Patents

222.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.4
[M+Na]+ 245.078418 156.0
[M-H]- 221.081924 152.7
[M+NH4]+ 240.123023 165.7
[M+K]+ 261.052358 156.3
[M+H-H2O]+ 205.086460 141.5
[M+HCOO]- 267.087401 168.4
[M+CH3COO]- 281.103051 188.4
[M+Na-2H]- 243.063866 152.6
[M]+ 222.08865142 152.9
[M]- 222.08974858 152.9
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