CID 6446419

1-(3,4-methylenedioxyphenyl)-1-penten-3-ol

Structural Information

Molecular Formula
C12H14O3
SMILES
CCC(/C=C/C1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C12H14O3/c1-2-10(13)5-3-9-4-6-11-12(7-9)15-8-14-11/h3-7,10,13H,2,8H2,1H3/b5-3+
InChIKey
TVRACYAEXIUDBD-HWKANZROSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.8
[M+Na]+ 229.08352 156.1
[M+NH4]+ 224.12812 152.8
[M+K]+ 245.05746 152.7
[M-H]- 205.08702 148.4
[M+Na-2H]- 227.06897 147.8
[M]+ 206.09375 147.3
[M]- 206.09485 147.3
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

No patent data available for this compound.