CID 14845042

132277-33-9

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(=CCOC1=CC=CC=C1O)C

InChI

InChI=1S/C11H14O2/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-7,12H,8H2,1-2H3

InChIKey

YXUAHNWRAJLTJF-UHFFFAOYSA-N

Compound name

2-(3-methylbut-2-enoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.09938 Da
Monoisotopic Mass: 2.8
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]+	179.10666	138.8
[M+Na]+	201.08860	146.0
[M-H]-	177.09210	141.1
[M+NH4]+	196.13320	158.5
[M+K]+	217.06254	143.6
[M+H-H2O]+	161.09664	133.3
[M+HCOO]-	223.09758	160.9
[M+CH3COO]-	237.11323	179.2
[M+Na-2H]-	199.07405	143.6
[M]+	178.09883	139.4
[M]-	178.09993	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe