CID 108587

2-ethoxyethyl isobutyrate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCOCCOC(=O)C(C)C

InChI

InChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3

InChIKey

ANSOCBLHUNAGRK-UHFFFAOYSA-N

Compound name

2-ethoxyethyl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 186
Patents: 160.10994 Da
Monoisotopic Mass: 1.4
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]+	161.11722	136.2
[M+Na]+	183.09916	142.5
[M-H]-	159.10266	136.4
[M+NH4]+	178.14376	157.2
[M+K]+	199.07310	143.6
[M+H-H2O]+	143.10720	131.3
[M+HCOO]-	205.10814	158.4
[M+CH3COO]-	219.12379	179.3
[M+Na-2H]-	181.08461	139.8
[M]+	160.10939	140.6
[M]-	160.11049	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe