CID 122705882

Tert-butyl n-(6-bromopyrimidin-4-yl)carbamate

Structural Information

Molecular Formula
C9H12BrN3O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=N1)Br
InChI
InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
InChIKey
NEZJKWALWQTLRZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-bromopyrimidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0113 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01858 150.6
[M+Na]+ 296.00052 161.6
[M-H]- 272.00402 154.6
[M+NH4]+ 291.04512 168.0
[M+K]+ 311.97446 151.2
[M+H-H2O]+ 256.00856 149.1
[M+HCOO]- 318.00950 169.3
[M+CH3COO]- 332.02515 194.7
[M+Na-2H]- 293.98597 159.0
[M]+ 273.01075 170.4
[M]- 273.01185 170.4
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.