CID 6434543

4-(3,4-methylenedioxyphenyl)-3-buten-2-ol

Structural Information

Molecular Formula
C11H12O3
SMILES
CC(/C=C/C1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6,8,12H,7H2,1H3/b3-2+
InChIKey
BFKJEEFQRZRWBY-NSCUHMNNSA-N
Compound name
(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.2
[M+Na]+ 215.06786 151.7
[M+NH4]+ 210.11246 148.4
[M+K]+ 231.04180 148.5
[M-H]- 191.07136 143.8
[M+Na-2H]- 213.05331 143.5
[M]+ 192.07809 142.7
[M]- 192.07919 142.7
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.