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

1
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

literature stripe

Patent stripe

patents stripe