CID 71580866

Isostrebluslignanaldehyde

Structural Information

Molecular Formula
C18H16O3
SMILES
C=CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)/C=C/C=O)O
InChI
InChI=1S/C18H16O3/c1-2-4-15-8-11-18(17(20)13-15)21-16-9-6-14(7-10-16)5-3-12-19/h2-3,5-13,20H,1,4H2/b5-3+
InChIKey
OEMPNLUEIYKHQQ-HWKANZROSA-N
Compound name
(E)-3-[4-(2-hydroxy-4-prop-2-enylphenoxy)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.10995 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 164.1
[M+Na]+ 303.09917 172.1
[M-H]- 279.10267 169.6
[M+NH4]+ 298.14377 179.5
[M+K]+ 319.07311 166.4
[M+H-H2O]+ 263.10721 156.5
[M+HCOO]- 325.10815 186.8
[M+CH3COO]- 339.12380 198.0
[M+Na-2H]- 301.08462 167.4
[M]+ 280.10940 166.0
[M]- 280.11050 166.0
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

No patent data available for this compound.