CID 77078163

Bromo-peg2-ch2co2tbu

Structural Information

Molecular Formula

C₁₀H₁₉BrO₄

SMILES

CC(C)(C)OC(=O)COCCOCCBr

InChI

InChI=1S/C10H19BrO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8H2,1-3H3

InChIKey

LEOVLGAAQMGPBM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 282.04666 Da
Monoisotopic Mass: 1.6
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]+	283.05394	158.4
[M+Na]+	305.03588	167.9
[M-H]-	281.03938	161.0
[M+NH4]+	300.08048	178.2
[M+K]+	321.00982	158.7
[M+H-H2O]+	265.04392	158.4
[M+HCOO]-	327.04486	177.0
[M+CH3COO]-	341.06051	195.7
[M+Na-2H]-	303.02133	163.9
[M]+	282.04611	182.9
[M]-	282.04721	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe