CID 44611842

Resorcinol compound 20

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

C1=CC(=C(C=C1O)O)CCCCCO

InChI

InChI=1S/C11H16O3/c12-7-3-1-2-4-9-5-6-10(13)8-11(9)14/h5-6,8,12-14H,1-4,7H2

InChIKey

ZZBHJCFPTVMPAC-UHFFFAOYSA-N

Compound name

4-(5-hydroxypentyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 196.10994 Da
Monoisotopic Mass: 1.3
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]+	197.117216	143.5
[M+Na]+	219.099158	150.5
[M-H]-	195.102664	143.2
[M+NH4]+	214.143763	161.3
[M+K]+	235.073098	147.0
[M+H-H2O]+	179.107200	138.2
[M+HCOO]-	241.108141	163.5
[M+CH3COO]-	255.123791	178.0
[M+Na-2H]-	217.084606	147.7
[M]+	196.10939142	143.6
[M]-	196.11048858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe