CID 84166

Diethoxymethyl acetate

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

CCOC(OCC)OC(=O)C

InChI

InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3

InChIKey

IRUNKQSGDBYUDC-UHFFFAOYSA-N

Compound name

diethoxymethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1334
Patents: 162.0892 Da
Monoisotopic Mass: 0.8
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]+	163.09648	134.2
[M+Na]+	185.07842	140.9
[M-H]-	161.08192	134.5
[M+NH4]+	180.12302	155.0
[M+K]+	201.05236	142.6
[M+H-H2O]+	145.08646	129.3
[M+HCOO]-	207.08740	156.9
[M+CH3COO]-	221.10305	178.3
[M+Na-2H]-	183.06387	138.3
[M]+	162.08865	139.7
[M]-	162.08975	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe