CID 6446801

Brn 2282545

Structural Information

Molecular Formula
C17H26O4
SMILES
CC(C)(C)CC(/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C17H26O4/c1-17(2,3)11-13(18)8-7-12-9-14(19-4)16(21-6)15(10-12)20-5/h7-10,13,18H,11H2,1-6H3/b8-7+
InChIKey
JYBFWKDFGZQINU-BQYQJAHWSA-N
Compound name
(E)-5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19038 171.1
[M+Na]+ 317.17232 181.6
[M+NH4]+ 312.21692 176.8
[M+K]+ 333.14626 176.7
[M-H]- 293.17582 170.8
[M+Na-2H]- 315.15777 174.3
[M]+ 294.18255 172.4
[M]- 294.18365 172.4
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.