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-chloropyridin-2-yl)oxyacetate
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 151.0
[M+Na]+ 266.05544 159.8
[M-H]- 242.05894 153.5
[M+NH4]+ 261.10004 168.4
[M+K]+ 282.02938 157.3
[M+H-H2O]+ 226.06348 145.3
[M+HCOO]- 288.06442 167.4
[M+CH3COO]- 302.08007 189.9
[M+Na-2H]- 264.04089 156.7
[M]+ 243.06567 156.9
[M]- 243.06677 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.