CID 77078157

157759-50-7

Structural Information

Molecular Formula

C₈H₁₅BrO₃

SMILES

CC(C)(C)OC(=O)COCCBr

InChI

InChI=1S/C8H15BrO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3

InChIKey

MXCPNUHKYMLSRV-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-bromoethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 238.02046 Da
Monoisotopic Mass: 1.7
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]+	239.02774	146.8
[M+Na]+	261.00968	157.2
[M-H]-	237.01318	149.8
[M+NH4]+	256.05428	168.3
[M+K]+	276.98362	148.1
[M+H-H2O]+	221.01772	147.4
[M+HCOO]-	283.01866	165.9
[M+CH3COO]-	297.03431	188.2
[M+Na-2H]-	258.99513	153.2
[M]+	238.01991	169.2
[M]-	238.02101	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe