CID 5280844

3-geranyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C17H22O3
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)C
InChI
InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+
InChIKey
HKIMBCGCVPYUTJ-NTUHNPAUSA-N
Compound name
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14
Patents

274.1569 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16418 167.7
[M+Na]+ 297.14612 177.4
[M+NH4]+ 292.19072 173.0
[M+K]+ 313.12006 172.2
[M-H]- 273.14962 166.9
[M+Na-2H]- 295.13157 169.9
[M]+ 274.15635 168.5
[M]- 274.15745 168.5
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

patents stripe