CID 96341

63834-77-5

Structural Information

Molecular Formula

C₁₁H₂₀O₄

SMILES

CCC(CC)(COC(=O)C)COC(=O)C

InChI

InChI=1S/C11H20O4/c1-5-11(6-2,7-14-9(3)12)8-15-10(4)13/h5-8H2,1-4H3

InChIKey

QERZBQVBUHVAFS-UHFFFAOYSA-N

Compound name

[2-(acetyloxymethyl)-2-ethylbutyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.13615 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]+	217.14343	150.4
[M+Na]+	239.12537	156.3
[M-H]-	215.12887	150.4
[M+NH4]+	234.16997	169.3
[M+K]+	255.09931	156.9
[M+H-H2O]+	199.13341	145.7
[M+HCOO]-	261.13435	170.6
[M+CH3COO]-	275.15000	189.0
[M+Na-2H]-	237.11082	153.4
[M]+	216.13560	156.2
[M]-	216.13670	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe