CID 101043834

1434127-91-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

211.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 141.4
[M+Na]+ 234.98412 156.2
[M-H]- 210.98762 149.3
[M+NH4]+ 230.02872 157.3
[M+K]+ 250.95806 144.4
[M+H-H2O]+ 194.99216 140.1
[M+HCOO]- 256.99310 162.1
[M+CH3COO]- 271.00875 156.5
[M+Na-2H]- 232.96957 149.7
[M]+ 211.99435 161.4
[M]- 211.99545 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