CID 10231

Dillapiole

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C2=C(C=C1CC=C)OCO2)OC
InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
InChIKey
LIKYNOPXHGPMIH-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

50
References

924
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 155.7
[M-H]- 221.08192 152.5
[M+NH4]+ 240.12302 165.4
[M+K]+ 261.05236 156.0
[M+H-H2O]+ 205.08646 141.2
[M+HCOO]- 267.08740 168.1
[M+CH3COO]- 281.10305 189.1
[M+Na-2H]- 243.06387 152.4
[M]+ 222.08865 152.8
[M]- 222.08975 152.8
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