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 146.2
[M+Na]+ 236.05612 153.7
[M-H]- 212.05962 149.8
[M+NH4]+ 231.10072 161.0
[M+K]+ 252.03006 150.5
[M+H-H2O]+ 196.06416 138.1
[M+HCOO]- 258.06510 160.2
[M+CH3COO]- 272.08075 157.7
[M+Na-2H]- 234.04157 151.9
[M]+ 213.06635 143.3
[M]- 213.06745 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.