CID 165914242

Tert-butyl n-(5-bromopyrimidin-4-yl)carbamate

Structural Information

Molecular Formula
C9H12BrN3O2
SMILES
CC(C)(C)OC(=O)NC1=NC=NC=C1Br
InChI
InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-6(10)4-11-5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
InChIKey
ZAMZVEPCFBZVPF-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromopyrimidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0113 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01858 152.0
[M+Na]+ 296.00052 153.7
[M+NH4]+ 291.04512 154.7
[M+K]+ 311.97446 155.5
[M-H]- 272.00402 150.5
[M+Na-2H]- 293.98597 154.4
[M]+ 273.01075 150.4
[M]- 273.01185 150.4
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.