CID 131752973

3-(3-methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC(=CC2=C1OCO2)/C=C\CO
InChI
InChI=1S/C11H12O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-3,5-6,12H,4,7H2,1H3/b3-2-
InChIKey
QSGMKFMIYYKIKX-IHWYPQMZSA-N
Compound name
(Z)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.7
[M+Na]+ 231.06278 154.5
[M+NH4]+ 226.10738 150.5
[M+K]+ 247.03672 151.2
[M-H]- 207.06628 146.1
[M+Na-2H]- 229.04823 145.7
[M]+ 208.07301 145.2
[M]- 208.07411 145.2
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