CID 13884815

4-(chloromethyl)-6-methoxypyrimidin-2-amine

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
COC1=NC(=NC(=C1)CCl)N
InChI
InChI=1S/C6H8ClN3O/c1-11-5-2-4(3-7)9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10)
InChIKey
FDOYEXXNKXTTKX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

173.03558 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.042856 132.4
[M+Na]+ 196.024798 142.8
[M-H]- 172.028304 133.3
[M+NH4]+ 191.069403 150.8
[M+K]+ 211.998738 139.5
[M+H-H2O]+ 156.032840 126.0
[M+HCOO]- 218.033781 151.3
[M+CH3COO]- 232.049431 179.9
[M+Na-2H]- 194.010246 139.6
[M]+ 173.03503142 134.4
[M]- 173.03612858 134.4
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