CID 62415213

6-chloro-n-cyclobutylpyrimidin-4-amine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CC(C1)NC2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-4-8(11-5-10-7)12-6-2-1-3-6/h4-6H,1-3H2,(H,10,11,12)
InChIKey
ZRUFQWJBGORXJL-UHFFFAOYSA-N
Compound name
6-chloro-N-cyclobutylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.05632 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 131.9
[M+Na]+ 206.045538 139.2
[M-H]- 182.049044 135.2
[M+NH4]+ 201.090143 143.3
[M+K]+ 222.019478 138.4
[M+H-H2O]+ 166.053580 119.2
[M+HCOO]- 228.054521 148.9
[M+CH3COO]- 242.070171 184.9
[M+Na-2H]- 204.030986 139.7
[M]+ 183.05577142 139.7
[M]- 183.05686858 139.7
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

No patent data available for this compound.