CID 604534

5-bromo-6-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
CC1=C(C(=NC=N1)N)Br
InChI
InChI=1S/C5H6BrN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKey
QOICQCARYUIEJZ-UHFFFAOYSA-N
Compound name
5-bromo-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.9745 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 127.0
[M+Na]+ 209.96372 140.2
[M-H]- 185.96722 131.1
[M+NH4]+ 205.00832 147.8
[M+K]+ 225.93766 129.2
[M+H-H2O]+ 169.97176 126.2
[M+HCOO]- 231.97270 148.3
[M+CH3COO]- 245.98835 181.6
[M+Na-2H]- 207.94917 136.5
[M]+ 186.97395 144.3
[M]- 186.97505 144.3
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