CID 22032757

2-(bromomethyl)pyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

171.96361 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 122.6
[M+Na]+ 194.95283 135.0
[M-H]- 170.95633 126.5
[M+NH4]+ 189.99743 144.0
[M+K]+ 210.92677 125.0
[M+H-H2O]+ 154.96087 122.4
[M+HCOO]- 216.96181 143.7
[M+CH3COO]- 230.97746 175.8
[M+Na-2H]- 192.93828 134.3
[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

literature stripe

Patent stripe

patents stripe