CID 20713451

4-chloro-6-methoxy-2-methylpyrimidine

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CC1=NC(=CC(=N1)Cl)OC
InChI
InChI=1S/C6H7ClN2O/c1-4-8-5(7)3-6(9-4)10-2/h3H,1-2H3
InChIKey
GHMCOGKFWUYJTF-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

158.02469 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 126.8
[M+Na]+ 181.013908 138.1
[M-H]- 157.017414 128.2
[M+NH4]+ 176.058513 146.4
[M+K]+ 196.987848 135.4
[M+H-H2O]+ 141.021950 120.8
[M+HCOO]- 203.022891 145.2
[M+CH3COO]- 217.038541 175.8
[M+Na-2H]- 178.999356 134.8
[M]+ 158.02414142 130.6
[M]- 158.02523858 130.6
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