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

5
Patents

258.0004 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 146.3
[M+Na]+ 280.98962 158.2
[M-H]- 256.99312 150.4
[M+NH4]+ 276.03422 164.6
[M+K]+ 296.96356 148.2
[M+H-H2O]+ 240.99766 145.7
[M+HCOO]- 302.99860 164.1
[M+CH3COO]- 317.01425 191.4
[M+Na-2H]- 278.97507 154.5
[M]+ 257.99985 167.1
[M]- 258.00095 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