CID 62747052

4-(chloromethyl)-2-(methoxymethyl)pyrimidine

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
COCC1=NC=CC(=N1)CCl
InChI
InChI=1S/C7H9ClN2O/c1-11-5-7-9-3-2-6(4-8)10-7/h2-3H,4-5H2,1H3
InChIKey
WDILGAKFPHXGFU-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04034 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.2
[M+Na]+ 195.02956 146.8
[M+NH4]+ 190.07416 140.8
[M+K]+ 211.00350 139.5
[M-H]- 171.03306 133.5
[M+Na-2H]- 193.01501 140.1
[M]+ 172.03979 134.9
[M]- 172.04089 134.9
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

No patent data available for this compound.