CID 72388

Anolignan b

Structural Information

Molecular Formula
C18H18O2
SMILES
C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
InChI
InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2
InChIKey
VVKZAZVVUAFFGF-UHFFFAOYSA-N
Compound name
4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

266.13068 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.8
[M+Na]+ 289.11990 168.6
[M-H]- 265.12340 166.6
[M+NH4]+ 284.16450 177.6
[M+K]+ 305.09384 163.0
[M+H-H2O]+ 249.12794 155.8
[M+HCOO]- 311.12888 181.6
[M+CH3COO]- 325.14453 195.4
[M+Na-2H]- 287.10535 163.9
[M]+ 266.13013 160.5
[M]- 266.13123 160.5
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.