CID 336858

Nsc352692

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OCC=C)OCO3
InChI
InChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3
InChIKey
IZTASLRRHYCALV-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 173.8
[M+Na]+ 335.12539 181.2
[M-H]- 311.12889 182.7
[M+NH4]+ 330.16999 188.6
[M+K]+ 351.09933 180.0
[M+H-H2O]+ 295.13343 166.8
[M+HCOO]- 357.13437 193.7
[M+CH3COO]- 371.15002 206.8
[M+Na-2H]- 333.11084 176.8
[M]+ 312.13562 179.5
[M]- 312.13672 179.5
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.