CID 90474218

63025-46-7

Structural Information

Molecular Formula
C16H22O3
SMILES
C/C(=C\CC1=C(C=CC(=C1)O)O)/CC/C=C(\C)/CO
InChI
InChI=1S/C16H22O3/c1-12(4-3-5-13(2)11-17)6-7-14-10-15(18)8-9-16(14)19/h5-6,8-10,17-19H,3-4,7,11H2,1-2H3/b12-6+,13-5+
InChIKey
JYTIGAMPVNDVKB-YKNDAMCPSA-N
Compound name
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 164.6
[M+Na]+ 285.14612 169.6
[M-H]- 261.14962 163.6
[M+NH4]+ 280.19072 179.5
[M+K]+ 301.12006 164.8
[M+H-H2O]+ 245.15416 158.7
[M+HCOO]- 307.15510 181.3
[M+CH3COO]- 321.17075 191.9
[M+Na-2H]- 283.13157 163.6
[M]+ 262.15635 163.6
[M]- 262.15745 163.6
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.