CID 53485882

4,6-dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C9H9Cl2N3O
SMILES
C1CCN(C1)C2=NC(=C(C(=N2)Cl)C=O)Cl
InChI
InChI=1S/C9H9Cl2N3O/c10-7-6(5-15)8(11)13-9(12-7)14-3-1-2-4-14/h5H,1-4H2
InChIKey
QPQPNBHOKOYKQT-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.01227 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01955 148.7
[M+Na]+ 268.00149 163.1
[M+NH4]+ 263.04609 156.6
[M+K]+ 283.97543 157.4
[M-H]- 244.00499 150.3
[M+Na-2H]- 265.98694 155.4
[M]+ 245.01172 151.6
[M]- 245.01282 151.6
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.