CID 72219320

6-bromo-n-methylpyrimidin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.9745 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe