CID 19780618

149299-82-1

Structural Information

Molecular Formula

C₁₀H₂₀O₅

SMILES

CC(C)(C)OC(=O)COCCOCCO

InChI

InChI=1S/C10H20O5/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h11H,4-8H2,1-3H3

InChIKey

LMDJRQVQNFNFAK-UHFFFAOYSA-N

Compound name

tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 220.13107 Da
Monoisotopic Mass: 0.2
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]+	221.138346	151.1
[M+Na]+	243.120288	156.7
[M-H]-	219.123794	149.6
[M+NH4]+	238.164893	169.0
[M+K]+	259.094228	157.3
[M+H-H2O]+	203.128330	146.2
[M+HCOO]-	265.129271	171.0
[M+CH3COO]-	279.144921	185.5
[M+Na-2H]-	241.105736	155.3
[M]+	220.13052142	157.4
[M]-	220.13161858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe