CID 12384

Diethylene glycol monomethyl ether acetate

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

CC(=O)OCCOCCOC

InChI

InChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3

InChIKey

BJINVQNEBGOMCR-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxy)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20385
Patents: 162.0892 Da
Monoisotopic Mass: -0.2
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]+	163.09648	133.9
[M+Na]+	185.07842	140.8
[M-H]-	161.08192	134.1
[M+NH4]+	180.12302	154.8
[M+K]+	201.05236	142.1
[M+H-H2O]+	145.08646	128.9
[M+HCOO]-	207.08740	157.6
[M+CH3COO]-	221.10305	177.4
[M+Na-2H]-	183.06387	139.3
[M]+	162.08865	140.0
[M]-	162.08975	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe