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: 73
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]+	195.101576	141.2
[M+Na]+	217.083518	148.7
[M-H]-	193.087024	145.0
[M+NH4]+	212.128123	160.9
[M+K]+	233.057458	147.9
[M+H-H2O]+	177.091560	135.2
[M+HCOO]-	239.092501	165.1
[M+CH3COO]-	253.108151	183.8
[M+Na-2H]-	215.068966	146.5
[M]+	194.09375142	145.2
[M]-	194.09484858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe