CID 44140145

Wigandol

Structural Information

Molecular Formula
C16H20O2
SMILES
C/C/1=C\CC2=C(C=CC(=C2C/C(=C\CC1)/C)O)O
InChI
InChI=1S/C16H20O2/c1-11-4-3-5-12(2)10-14-13(7-6-11)15(17)8-9-16(14)18/h5-6,8-9,17-18H,3-4,7,10H2,1-2H3/b11-6+,12-5-
InChIKey
UABYSSHJBWFDJU-CRLRQKJVSA-N
Compound name
(6E,10Z)-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 154.3
[M+Na]+ 267.13555 162.3
[M-H]- 243.13905 154.1
[M+NH4]+ 262.18015 169.7
[M+K]+ 283.10949 158.6
[M+H-H2O]+ 227.14359 152.0
[M+HCOO]- 289.14453 172.0
[M+CH3COO]- 303.16018 187.7
[M+Na-2H]- 265.12100 157.1
[M]+ 244.14578 150.3
[M]- 244.14688 150.3
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.