CID 10560580

Resorcinol compound 29

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC1=CC(=CC(=C1CC2=CC=CC=C2)O)O

InChI

InChI=1S/C14H14O2/c1-10-7-12(15)9-14(16)13(10)8-11-5-3-2-4-6-11/h2-7,9,15-16H,8H2,1H3

InChIKey

VPHJXVVCNGTIMH-UHFFFAOYSA-N

Compound name

4-benzyl-5-methylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.09938 Da
Monoisotopic Mass: 3.5
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]+	215.10666	147.5
[M+Na]+	237.08860	162.6
[M+NH4]+	232.13320	156.4
[M+K]+	253.06254	155.1
[M-H]-	213.09210	151.8
[M+Na-2H]-	235.07405	156.5
[M]+	214.09883	151.0
[M]-	214.09993	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe