CID 89696283

Methyl 2-(5-bromopyrimidin-2-yl)-2-methylpropanoate

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CC(C)(C1=NC=C(C=N1)Br)C(=O)OC
InChI
InChI=1S/C9H11BrN2O2/c1-9(2,8(13)14-3)7-11-4-6(10)5-12-7/h4-5H,1-3H3
InChIKey
NMUCZVJMOXMYMB-UHFFFAOYSA-N
Compound name
methyl 2-(5-bromopyrimidin-2-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

258.0004 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.007676 146.3
[M+Na]+ 280.989618 158.2
[M-H]- 256.993124 150.4
[M+NH4]+ 276.034223 164.6
[M+K]+ 296.963558 148.2
[M+H-H2O]+ 240.997660 145.7
[M+HCOO]- 302.998601 164.1
[M+CH3COO]- 317.014251 191.4
[M+Na-2H]- 278.975066 154.5
[M]+ 257.99985142 167.1
[M]- 258.00094858 167.1
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

patents stripe