CID 6446402

Brn 2278853

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C)(C)C(/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C16H24O4/c1-16(2,3)14(17)8-7-11-9-12(18-4)15(20-6)13(10-11)19-5/h7-10,14,17H,1-6H3/b8-7+
InChIKey
LVYHQBFMMMDUTF-BQYQJAHWSA-N
Compound name
(E)-4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 166.1
[M+Na]+ 303.15667 173.3
[M-H]- 279.16017 168.7
[M+NH4]+ 298.20127 182.4
[M+K]+ 319.13061 171.6
[M+H-H2O]+ 263.16471 160.4
[M+HCOO]- 325.16565 185.4
[M+CH3COO]- 339.18130 200.5
[M+Na-2H]- 301.14212 167.9
[M]+ 280.16690 171.8
[M]- 280.16800 171.8
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.