CID 82374790

5-bromo-4-cyclopropyl-2-methylpyrimidine

Structural Information

Molecular Formula
C8H9BrN2
SMILES
CC1=NC=C(C(=N1)C2CC2)Br
InChI
InChI=1S/C8H9BrN2/c1-5-10-4-7(9)8(11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
AOYJYXDHLYWUTG-UHFFFAOYSA-N
Compound name
5-bromo-4-cyclopropyl-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 141.4
[M+Na]+ 234.984118 156.2
[M-H]- 210.987624 149.3
[M+NH4]+ 230.028723 157.3
[M+K]+ 250.958058 144.4
[M+H-H2O]+ 194.992160 140.1
[M+HCOO]- 256.993101 162.1
[M+CH3COO]- 271.008751 156.5
[M+Na-2H]- 232.969566 149.7
[M]+ 211.99435142 161.4
[M]- 211.99544858 161.4
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