CID 19218

Triethylene glycol monomethyl ether acetate

Structural Information

Molecular Formula

C₉H₁₈O₅

SMILES

CC(=O)OCCOCCOCCOC

InChI

InChI=1S/C9H18O5/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3

InChIKey

SDHQGBWMLCBNSM-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3779
Patents: 206.11542 Da
Monoisotopic Mass: -0.3
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]+	207.122696	145.7
[M+Na]+	229.104638	151.6
[M-H]-	205.108144	145.4
[M+NH4]+	224.149243	164.7
[M+K]+	245.078578	152.9
[M+H-H2O]+	189.112680	140.0
[M+HCOO]-	251.113621	168.9
[M+CH3COO]-	265.129271	185.4
[M+Na-2H]-	227.090086	150.1
[M]+	206.11487142	154.0
[M]-	206.11596858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe