CID 59140870

4-bromo-2,5-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CC1=CN=C(N=C1Br)C
InChI
InChI=1S/C6H7BrN2/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3
InChIKey
UUAFIRXPEOPWKI-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.97926 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 126.4
[M+Na]+ 208.96848 140.3
[M-H]- 184.97198 131.0
[M+NH4]+ 204.01308 148.0
[M+K]+ 224.94242 129.9
[M+H-H2O]+ 168.97652 126.4
[M+HCOO]- 230.97746 147.2
[M+CH3COO]- 244.99311 180.7
[M+Na-2H]- 206.95393 136.3
[M]+ 185.97871 145.8
[M]- 185.97981 145.8
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