CID 57765

3,5-diallyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C13H14O3
SMILES
C=CCC1=CC(=CC(=C1O)CC=C)C(=O)O
InChI
InChI=1S/C13H14O3/c1-3-5-9-7-11(13(15)16)8-10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6H2,(H,15,16)
InChIKey
QIQJOLWVADYXBG-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

218.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 149.4
[M+Na]+ 241.08352 161.0
[M+NH4]+ 236.12812 155.6
[M+K]+ 257.05746 155.3
[M-H]- 217.08702 149.3
[M+Na-2H]- 239.06897 153.2
[M]+ 218.09375 150.8
[M]- 218.09485 150.8
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

patents stripe