CID 165815019

Tert-butyl 2-[(2-bromopyrimidin-5-yl)oxy]acetate

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₃

SMILES

CC(C)(C)OC(=O)COC1=CN=C(N=C1)Br

InChI

InChI=1S/C10H13BrN2O3/c1-10(2,3)16-8(14)6-15-7-4-12-9(11)13-5-7/h4-5H,6H2,1-3H3

InChIKey

JGHLHUCZSWGGLG-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-bromopyrimidin-5-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.01096 Da
Monoisotopic Mass: 2.1
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]+	289.018236	153.6
[M+Na]+	311.000178	164.9
[M-H]-	287.003684	157.5
[M+NH4]+	306.044783	170.7
[M+K]+	326.974118	155.2
[M+H-H2O]+	271.008220	152.5
[M+HCOO]-	333.009161	171.3
[M+CH3COO]-	347.024811	195.5
[M+Na-2H]-	308.985626	161.3
[M]+	288.01041142	176.0
[M]-	288.01150858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.