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]+ 214.07418 144.7
[M+Na]+ 236.05612 158.3
[M+NH4]+ 231.10072 153.2
[M+K]+ 252.03006 151.8
[M-H]- 212.05962 149.6
[M+Na-2H]- 234.04157 151.9
[M]+ 213.06635 148.2
[M]- 213.06745 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.