CID 3021996

Gamma-resorcylic acid, 4-(p-methylbenzyl)-

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CC1=CC=C(C=C1)CC2=CC(=C(C(=C2)O)C(=O)O)O

InChI

InChI=1S/C15H14O4/c1-9-2-4-10(5-3-9)6-11-7-12(16)14(15(18)19)13(17)8-11/h2-5,7-8,16-17H,6H2,1H3,(H,18,19)

InChIKey

QULOOOAMYKMCTN-UHFFFAOYSA-N

Compound name

2,6-dihydroxy-4-[(4-methylphenyl)methyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0892 Da
Monoisotopic Mass: 4.1
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]+	259.096476	156.3
[M+Na]+	281.078418	164.6
[M-H]-	257.081924	160.0
[M+NH4]+	276.123023	171.4
[M+K]+	297.052358	160.4
[M+H-H2O]+	241.086460	149.9
[M+HCOO]-	303.087401	175.8
[M+CH3COO]-	317.103051	190.8
[M+Na-2H]-	279.063866	158.5
[M]+	258.08865142	156.3
[M]-	258.08974858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe