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]+ 259.08440 154.9
[M+Na]+ 281.06634 164.5
[M-H]- 257.06984 156.3
[M+NH4]+ 276.11094 170.6
[M+K]+ 297.04028 162.0
[M+H-H2O]+ 241.07438 148.5
[M+HCOO]- 303.07532 169.9
[M+CH3COO]- 317.09097 193.9
[M+Na-2H]- 279.05179 160.0
[M]+ 258.07657 161.6
[M]- 258.07767 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.