CID 66341876

5-bromo-n-cyclopropylpyrimidin-4-amine

Structural Information

Molecular Formula
C7H8BrN3
SMILES
C1CC1NC2=NC=NC=C2Br
InChI
InChI=1S/C7H8BrN3/c8-6-3-9-4-10-7(6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKey
FAEGCQNNWDBRHT-UHFFFAOYSA-N
Compound name
5-bromo-N-cyclopropylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99744 139.8
[M+Na]+ 235.97938 153.2
[M-H]- 211.98288 147.3
[M+NH4]+ 231.02398 154.9
[M+K]+ 251.95332 141.2
[M+H-H2O]+ 195.98742 137.8
[M+HCOO]- 257.98836 161.7
[M+CH3COO]- 272.00401 154.4
[M+Na-2H]- 233.96483 149.6
[M]+ 212.98961 158.4
[M]- 212.99071 158.4
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