CID 21698173

5-(chloromethyl)-2-methoxypyrimidine

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
COC1=NC=C(C=N1)CCl
InChI
InChI=1S/C6H7ClN2O/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2H2,1H3
InChIKey
DQFAKCZQDNAAJI-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

158.02469 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 127.0
[M+Na]+ 181.013908 137.4
[M-H]- 157.017414 128.1
[M+NH4]+ 176.058513 146.3
[M+K]+ 196.987848 134.6
[M+H-H2O]+ 141.021950 120.7
[M+HCOO]- 203.022891 145.5
[M+CH3COO]- 217.038541 174.7
[M+Na-2H]- 178.999356 135.8
[M]+ 158.02414142 130.4
[M]- 158.02523858 130.4
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