CID 138039841

6-chloro-2-(oxan-4-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C9H12ClN3O
SMILES
C1COCCC1C2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C9H12ClN3O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKey
OUBMKPDMCNEUKV-UHFFFAOYSA-N
Compound name
6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0669 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.074176 146.2
[M+Na]+ 236.056118 153.7
[M-H]- 212.059624 149.8
[M+NH4]+ 231.100723 161.0
[M+K]+ 252.030058 150.5
[M+H-H2O]+ 196.064160 138.1
[M+HCOO]- 258.065101 160.2
[M+CH3COO]- 272.080751 157.7
[M+Na-2H]- 234.041566 151.9
[M]+ 213.06635142 143.3
[M]- 213.06744858 143.3
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

No patent data available for this compound.