CID 165815019

Tert-butyl2-[(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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01824 153.6
[M+Na]+ 311.00018 164.9
[M-H]- 287.00368 157.5
[M+NH4]+ 306.04478 170.7
[M+K]+ 326.97412 155.2
[M+H-H2O]+ 271.00822 152.5
[M+HCOO]- 333.00916 171.3
[M+CH3COO]- 347.02481 195.5
[M+Na-2H]- 308.98563 161.3
[M]+ 288.01041 176.0
[M]- 288.01151 176.0
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.