CID 45789625

2-bromo-5-methylpyrimidine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
CC1=CN=C(N=C1)Br
InChI
InChI=1S/C5H5BrN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey
KYCGEJNZMHUBMX-UHFFFAOYSA-N
Compound name
2-bromo-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
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

No literature data available for this compound.

Patent stripe

patents stripe