CID 642819

4-(bromomethyl)pyrimidine hydrobromide

Structural Information

Molecular Formula
C5H5BrN2
SMILES
C1=CN=CN=C1CBr
InChI
InChI=1S/C5H5BrN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChIKey
OKLBYPMDIRXALH-UHFFFAOYSA-N
Compound name
4-(bromomethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

171.96361 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 126.2
[M+Na]+ 194.95283 130.8
[M+NH4]+ 189.99743 131.5
[M+K]+ 210.92677 130.3
[M-H]- 170.95633 126.4
[M+Na-2H]- 192.93828 131.6
[M]+ 171.96306 125.7
[M]- 171.96416 125.7
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

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