CID 97790

69617-84-1

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(CCC1=CC=C(C=C1)O)O

InChI

InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3

InChIKey

SFUCGABQOMYVJW-UHFFFAOYSA-N

Compound name

4-(3-hydroxybutyl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 72
References: 992
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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]+	167.10666	136.1
[M+Na]+	189.08860	142.8
[M-H]-	165.09210	137.1
[M+NH4]+	184.13320	155.5
[M+K]+	205.06254	140.4
[M+H-H2O]+	149.09664	130.9
[M+HCOO]-	211.09758	156.8
[M+CH3COO]-	225.11323	175.1
[M+Na-2H]-	187.07405	140.8
[M]+	166.09883	135.2
[M]-	166.09993	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe