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: 53
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]+	197.11722	143.5
[M+Na]+	219.09916	150.5
[M-H]-	195.10266	143.2
[M+NH4]+	214.14376	161.3
[M+K]+	235.07310	147.0
[M+H-H2O]+	179.10720	138.2
[M+HCOO]-	241.10814	163.5
[M+CH3COO]-	255.12379	178.0
[M+Na-2H]-	217.08461	147.7
[M]+	196.10939	143.6
[M]-	196.11049	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe