CID 66302944

5-bromo-6-cyclopropylpyrimidin-4-amine

Structural Information

Molecular Formula
C7H8BrN3
SMILES
C1CC1C2=C(C(=NC=N2)N)Br
InChI
InChI=1S/C7H8BrN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11)
InChIKey
JPSXIRLBBFYDEY-UHFFFAOYSA-N
Compound name
5-bromo-6-cyclopropylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.99016 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99744 130.9
[M+Na]+ 235.97938 136.3
[M+NH4]+ 231.02398 136.5
[M+K]+ 251.95332 137.7
[M-H]- 211.98288 138.4
[M+Na-2H]- 233.96483 138.4
[M]+ 212.98961 133.6
[M]- 212.99071 133.6
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