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

3
Annotation Hits: 3
References: 9447
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]+	131.106656	127.6
[M+Na]+	153.088598	135.2
[M-H]-	129.092104	128.4
[M+NH4]+	148.133203	150.2
[M+K]+	169.062538	136.1
[M+H-H2O]+	113.096640	124.0
[M+HCOO]-	175.097581	149.4
[M+CH3COO]-	189.113231	173.0
[M+Na-2H]-	151.074046	133.8
[M]+	130.09883142	130.3
[M]-	130.09992858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe