CID 55264672

6-chloro-2-(methoxymethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
COCC1=NC(=CC(=N1)Cl)N
InChI
InChI=1S/C6H8ClN3O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10)
InChIKey
JEOBFTOIMFEXNK-UHFFFAOYSA-N
Compound name
6-chloro-2-(methoxymethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

173.03558 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04286 132.4
[M+Na]+ 196.02480 142.8
[M-H]- 172.02830 133.3
[M+NH4]+ 191.06940 150.8
[M+K]+ 211.99874 139.5
[M+H-H2O]+ 156.03284 126.0
[M+HCOO]- 218.03378 151.3
[M+CH3COO]- 232.04943 179.9
[M+Na-2H]- 194.01025 139.6
[M]+ 173.03503 134.4
[M]- 173.03613 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