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 142.4
[M+Na]+ 231.06278 151.1
[M-H]- 207.06628 147.1
[M+NH4]+ 226.10738 161.2
[M+K]+ 247.03672 150.7
[M+H-H2O]+ 191.07082 137.6
[M+HCOO]- 253.07176 163.2
[M+CH3COO]- 267.08741 181.7
[M+Na-2H]- 229.04823 149.3
[M]+ 208.07301 146.3
[M]- 208.07411 146.3
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