CID 6434569

58344-89-1

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)(C)CC(/C=C/C1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C15H20O3/c1-15(2,3)9-12(16)6-4-11-5-7-13-14(8-11)18-10-17-13/h4-8,12,16H,9-10H2,1-3H3/b6-4+
InChIKey
RDTWCCOBFRHXHM-GQCTYLIASA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 159.4
[M+Na]+ 271.13047 165.8
[M-H]- 247.13397 163.5
[M+NH4]+ 266.17507 176.5
[M+K]+ 287.10441 164.9
[M+H-H2O]+ 231.13851 154.7
[M+HCOO]- 293.13945 176.1
[M+CH3COO]- 307.15510 191.0
[M+Na-2H]- 269.11592 164.4
[M]+ 248.14070 161.7
[M]- 248.14180 161.7
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.