CID 6446405

58344-51-7

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)(C)C(/C=C/C1=CC2=C(C=C1)OCCO2)O
InChI
InChI=1S/C15H20O3/c1-15(2,3)14(16)7-5-11-4-6-12-13(10-11)18-9-8-17-12/h4-7,10,14,16H,8-9H2,1-3H3/b7-5+
InChIKey
QZGYOGZDVMTZPN-FNORWQNLSA-N
Compound name
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.2
[M+Na]+ 271.13047 163.6
[M-H]- 247.13397 162.0
[M+NH4]+ 266.17507 173.3
[M+K]+ 287.10441 163.0
[M+H-H2O]+ 231.13851 152.4
[M+HCOO]- 293.13945 172.7
[M+CH3COO]- 307.15510 191.6
[M+Na-2H]- 269.11592 164.7
[M]+ 248.14070 158.3
[M]- 248.14180 158.3
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.