CID 45117387

4-bromo-6-methylpyrimidine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
CC1=CC(=NC=N1)Br
InChI
InChI=1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChIKey
GBPCCNWUSHSRTM-UHFFFAOYSA-N
Compound name
4-bromo-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

171.96361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 125.7
[M+Na]+ 194.95283 130.7
[M+NH4]+ 189.99743 131.1
[M+K]+ 210.92677 130.4
[M-H]- 170.95633 126.1
[M+Na-2H]- 192.93828 130.9
[M]+ 171.96306 125.4
[M]- 171.96416 125.4
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