CID 165759007

6-chloro-5-(1,3-dioxolan-2-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
C1COC(O1)C2=C(N=CN=C2Cl)N
InChI
InChI=1S/C7H8ClN3O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h3,7H,1-2H2,(H2,9,10,11)
InChIKey
DPOQJQSNDHBWIX-UHFFFAOYSA-N
Compound name
6-chloro-5-(1,3-dioxolan-2-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0305 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.037776 140.9
[M+Na]+ 224.019718 150.1
[M-H]- 200.023224 145.7
[M+NH4]+ 219.064323 156.7
[M+K]+ 239.993658 148.7
[M+H-H2O]+ 184.027760 133.5
[M+HCOO]- 246.028701 156.9
[M+CH3COO]- 260.044351 153.9
[M+Na-2H]- 222.005166 146.5
[M]+ 201.02995142 141.3
[M]- 201.03104858 141.3
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.