CID 57802514

287174-32-7

Structural Information

Molecular Formula

C₈H₁₆O₄

SMILES

CC(C)(C)OC(=O)COCCO

InChI

InChI=1S/C8H16O4/c1-8(2,3)12-7(10)6-11-5-4-9/h9H,4-6H2,1-3H3

InChIKey

GIDDJWYPWOFCCS-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-hydroxyethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 176.10486 Da
Monoisotopic Mass: 0.3
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]+	177.112136	139.2
[M+Na]+	199.094078	145.8
[M-H]-	175.097584	138.2
[M+NH4]+	194.138683	159.1
[M+K]+	215.068018	146.4
[M+H-H2O]+	159.102120	135.0
[M+HCOO]-	221.103061	159.6
[M+CH3COO]-	235.118711	177.4
[M+Na-2H]-	197.079526	144.4
[M]+	176.10431142	143.3
[M]-	176.10540858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe