CID 22419321

4-bromo-2-methylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
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 122.3
[M+Na]+ 194.95283 135.6
[M-H]- 170.95633 126.6
[M+NH4]+ 189.99743 144.0
[M+K]+ 210.92677 125.5
[M+H-H2O]+ 154.96087 122.3
[M+HCOO]- 216.96181 143.3
[M+CH3COO]- 230.97746 176.8
[M+Na-2H]- 192.93828 133.3
[M]+ 171.96306 140.9
[M]- 171.96416 140.9
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