CID 8054

2-methoxyethyl acetate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(=O)OCCOC

InChI

InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3

InChIKey

XLLIQLLCWZCATF-UHFFFAOYSA-N

Compound name

2-methoxyethyl acetate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 17
References: 120183
Patents: 118.062996 Da
Monoisotopic Mass: 0.0
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]+	119.070272	121.8
[M+Na]+	141.052214	129.6
[M-H]-	117.055720	122.4
[M+NH4]+	136.096819	144.5
[M+K]+	157.026154	131.0
[M+H-H2O]+	101.060256	117.5
[M+HCOO]-	163.061197	145.9
[M+CH3COO]-	177.076847	169.4
[M+Na-2H]-	139.037662	128.3
[M]+	118.06244742	125.7
[M]-	118.06354458	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe