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

2
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

literature stripe

Patent stripe

patents stripe