CID 81258

6807-11-0

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC1=CC=C(C=C1)OCCOC(=O)C

InChI

InChI=1S/C11H14O3/c1-9-3-5-11(6-4-9)14-8-7-13-10(2)12/h3-6H,7-8H2,1-2H3

InChIKey

ZJMLZGKLUMJGSL-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 71
Patents: 194.0943 Da
Monoisotopic Mass: 2.1
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]+	195.10158	141.2
[M+Na]+	217.08352	148.7
[M-H]-	193.08702	145.0
[M+NH4]+	212.12812	160.9
[M+K]+	233.05746	147.9
[M+H-H2O]+	177.09156	135.2
[M+HCOO]-	239.09250	165.1
[M+CH3COO]-	253.10815	183.8
[M+Na-2H]-	215.06897	146.5
[M]+	194.09375	145.2
[M]-	194.09485	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe