CID 19838

Ethyl trimethylacetate

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CCOC(=O)C(C)(C)C

InChI

InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3

InChIKey

HHEIMYAXCOIQCJ-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 8116
Patents: 130.09938 Da
Monoisotopic Mass: 1.9
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]+	131.10666	128.4
[M+Na]+	153.08860	138.3
[M+NH4]+	148.13320	135.9
[M+K]+	169.06254	134.1
[M-H]-	129.09210	126.9
[M+Na-2H]-	151.07405	131.8
[M]+	130.09883	129.2
[M]-	130.09993	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe