CID 161417191

Tert-butyl 2-[(6-chloropyridin-2-yl)oxy]acetate

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

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

InChI

InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(14)7-15-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3

InChIKey

ZQYSJGZTEROBSQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-[(6-chloro-2-pyridinyl)oxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.06622 Da
Monoisotopic Mass: 3.0
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]+	244.073496	151.0
[M+Na]+	266.055438	159.8
[M-H]-	242.058944	153.5
[M+NH4]+	261.100043	168.4
[M+K]+	282.029378	157.3
[M+H-H2O]+	226.063480	145.3
[M+HCOO]-	288.064421	167.4
[M+CH3COO]-	302.080071	189.9
[M+Na-2H]-	264.040886	156.7
[M]+	243.06567142	156.9
[M]-	243.06676858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.