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

40
Patents

218.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.101576 147.1
[M+Na]+ 241.083518 155.3
[M-H]- 217.087024 148.4
[M+NH4]+ 236.128123 164.7
[M+K]+ 257.057458 150.9
[M+H-H2O]+ 201.091560 141.8
[M+HCOO]- 263.092501 167.6
[M+CH3COO]- 277.108151 186.2
[M+Na-2H]- 239.068966 149.0
[M]+ 218.09375142 147.5
[M]- 218.09484858 147.5
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