CID 155822615

1206248-94-3

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₃

SMILES

CC(C)(C)OC(=O)COC1=NC(=CC=C1)Br

InChI

InChI=1S/C11H14BrNO3/c1-11(2,3)16-10(14)7-15-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3

InChIKey

LUBRJVIWCMCNCP-UHFFFAOYSA-N

Compound name

tert-butyl 2-(6-bromopyridin-2-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 287.01572 Da
Monoisotopic Mass: 3.1
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]+	288.02300	155.2
[M+Na]+	310.00494	166.2
[M-H]-	286.00844	160.3
[M+NH4]+	305.04954	173.7
[M+K]+	325.97888	156.4
[M+H-H2O]+	270.01298	154.7
[M+HCOO]-	332.01392	173.8
[M+CH3COO]-	346.02957	195.7
[M+Na-2H]-	307.99039	162.3
[M]+	287.01517	177.5
[M]-	287.01627	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe