CID 57767

3,5-diallyl-4-propoxybenzoic acid

Structural Information

Molecular Formula
C16H20O3
SMILES
CCCOC1=C(C=C(C=C1CC=C)C(=O)O)CC=C
InChI
InChI=1S/C16H20O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3,(H,17,18)
InChIKey
KISJXFJRHVRMSH-UHFFFAOYSA-N
Compound name
3,5-bis(prop-2-enyl)-4-propoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 162.2
[M+Na]+ 283.13046 173.7
[M+NH4]+ 278.17506 168.2
[M+K]+ 299.10440 167.0
[M-H]- 259.13396 162.5
[M+Na-2H]- 281.11591 165.8
[M]+ 260.14069 163.7
[M]- 260.14179 163.7
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.