CID 203565

4-(aziridin-1-yl)-6-chloropyrimidine

Structural Information

Molecular Formula
C6H6ClN3
SMILES
C1CN1C2=CC(=NC=N2)Cl
InChI
InChI=1S/C6H6ClN3/c7-5-3-6(9-4-8-5)10-1-2-10/h3-4H,1-2H2
InChIKey
MMXBUFOHHCHMGK-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-6-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

155.02502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03230 130.5
[M+Na]+ 178.01424 146.8
[M+NH4]+ 173.05884 139.9
[M+K]+ 193.98818 141.1
[M-H]- 154.01774 139.5
[M+Na-2H]- 175.99969 141.8
[M]+ 155.02447 136.8
[M]- 155.02557 136.8
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.