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 131.7
[M+Na]+ 195.02956 141.6
[M-H]- 171.03306 132.5
[M+NH4]+ 190.07416 150.4
[M+K]+ 211.00350 138.6
[M+H-H2O]+ 155.03760 125.1
[M+HCOO]- 217.03854 149.8
[M+CH3COO]- 231.05419 177.7
[M+Na-2H]- 193.01501 139.9
[M]+ 172.03979 135.4
[M]- 172.04089 135.4
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

No patent data available for this compound.