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: 17
Patents: 274.1569 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.164176	166.7
[M+Na]+	297.146118	171.9
[M-H]-	273.149624	167.1
[M+NH4]+	292.190723	181.7
[M+K]+	313.120058	167.6
[M+H-H2O]+	257.154160	160.7
[M+HCOO]-	319.155101	183.9
[M+CH3COO]-	333.170751	197.5
[M+Na-2H]-	295.131566	164.6
[M]+	274.15635142	166.7
[M]-	274.15744858	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe