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

13
Patents

212.99016 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.997436 140.1
[M+Na]+ 235.979378 154.3
[M-H]- 211.982884 147.6
[M+NH4]+ 231.023983 155.3
[M+K]+ 251.953318 141.8
[M+H-H2O]+ 195.987420 138.3
[M+HCOO]- 257.988361 161.4
[M+CH3COO]- 272.004011 154.8
[M+Na-2H]- 233.964826 148.3
[M]+ 212.98961142 158.2
[M]- 212.99070858 158.2
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