CID 13098184

5-bromo-n-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
CNC1=NC=C(C=N1)Br
InChI
InChI=1S/C5H6BrN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
UDQGIOYIJKRLFH-UHFFFAOYSA-N
Compound name
5-bromo-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

186.9745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.981776 126.2
[M+Na]+ 209.963718 138.5
[M-H]- 185.967224 130.3
[M+NH4]+ 205.008323 146.9
[M+K]+ 225.937658 127.9
[M+H-H2O]+ 169.971760 125.2
[M+HCOO]- 231.972701 148.1
[M+CH3COO]- 245.988351 181.2
[M+Na-2H]- 207.949166 137.4
[M]+ 186.97395142 144.0
[M]- 186.97504858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe