CID 21298827

2-(chloromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(N=C1N)CCl
InChI
InChI=1S/C5H6ClN3/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2,(H2,7,8,9)
InChIKey
JWAQENUKTAOJST-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

143.02502 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 124.0
[M+Na]+ 166.01424 137.9
[M+NH4]+ 161.05884 132.8
[M+K]+ 181.98818 131.3
[M-H]- 142.01774 125.9
[M+Na-2H]- 163.99969 132.1
[M]+ 143.02447 126.7
[M]- 143.02557 126.7
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

patents stripe