CID 57809

4-allyloxy-3,5-diallylbenzoic acid

Structural Information

Molecular Formula
C16H18O3
SMILES
C=CCC1=CC(=CC(=C1OCC=C)CC=C)C(=O)O
InChI
InChI=1S/C16H18O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h4-6,10-11H,1-3,7-9H2,(H,17,18)
InChIKey
AFOPLOLSLKSEAK-UHFFFAOYSA-N
Compound name
4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 158.4
[M+Na]+ 281.11480 166.0
[M-H]- 257.11830 160.6
[M+NH4]+ 276.15940 175.0
[M+K]+ 297.08874 161.2
[M+H-H2O]+ 241.12284 152.4
[M+HCOO]- 303.12378 179.6
[M+CH3COO]- 317.13943 196.9
[M+Na-2H]- 279.10025 159.3
[M]+ 258.12503 161.1
[M]- 258.12613 161.1
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.