CID 6447328

73771-58-1

Structural Information

Molecular Formula
C15H20O4
SMILES
CC(C)(C)C(/C=C/C1=C(C2=C(C=C1)OCO2)OC)O
InChI
InChI=1S/C15H20O4/c1-15(2,3)12(16)8-6-10-5-7-11-14(13(10)17-4)19-9-18-11/h5-8,12,16H,9H2,1-4H3/b8-6+
InChIKey
NOWOXMFNKZIQOF-SOFGYWHQSA-N
Compound name
(E)-1-(4-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.2
[M+Na]+ 287.12539 170.4
[M+NH4]+ 282.16999 166.9
[M+K]+ 303.09933 168.4
[M-H]- 263.12889 162.5
[M+Na-2H]- 285.11084 161.8
[M]+ 264.13562 162.2
[M]- 264.13672 162.2
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

No patent data available for this compound.