CID 177799222

Tert-butyl 2-[(4-chloro-6-methylpyrimidin-2-yl)oxy]acetate

Structural Information

Molecular Formula
C11H15ClN2O3
SMILES
CC1=CC(=NC(=N1)OCC(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C11H15ClN2O3/c1-7-5-8(12)14-10(13-7)16-6-9(15)17-11(2,3)4/h5H,6H2,1-4H3
InChIKey
RDVJPLJRLBOPTL-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-chloro-6-methylpyrimidin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.07712 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.084396 154.9
[M+Na]+ 281.066338 164.5
[M-H]- 257.069844 156.3
[M+NH4]+ 276.110943 170.6
[M+K]+ 297.040278 162.0
[M+H-H2O]+ 241.074380 148.5
[M+HCOO]- 303.075321 169.9
[M+CH3COO]- 317.090971 193.9
[M+Na-2H]- 279.051786 160.0
[M]+ 258.07657142 161.6
[M]- 258.07766858 161.6
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.