CID 80872179

5-bromo-4-cyclobutoxypyrimidin-2-amine

Structural Information

Molecular Formula
C8H10BrN3O
SMILES
C1CC(C1)OC2=NC(=NC=C2Br)N
InChI
InChI=1S/C8H10BrN3O/c9-6-4-11-8(10)12-7(6)13-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12)
InChIKey
PKXMFINXNZEFRX-UHFFFAOYSA-N
Compound name
5-bromo-4-cyclobutyloxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.00072 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00800 134.9
[M+Na]+ 265.98994 144.8
[M-H]- 241.99344 140.9
[M+NH4]+ 261.03454 147.0
[M+K]+ 281.96388 137.3
[M+H-H2O]+ 225.99798 128.0
[M+HCOO]- 287.99892 153.8
[M+CH3COO]- 302.01457 193.3
[M+Na-2H]- 263.97539 142.7
[M]+ 243.00017 159.3
[M]- 243.00127 159.3
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