CID 535905

4-methoxy-2-methylpyrimidine

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=NC=CC(=N1)OC
InChI
InChI=1S/C6H8N2O/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3
InChIKey
XTRAWORUGOJWSH-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

124.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.9
[M+Na]+ 147.052878 131.7
[M-H]- 123.056384 123.3
[M+NH4]+ 142.097483 141.9
[M+K]+ 163.026818 130.8
[M+H-H2O]+ 107.060920 115.2
[M+HCOO]- 169.061861 145.1
[M+CH3COO]- 183.077511 170.8
[M+Na-2H]- 145.038326 131.2
[M]+ 124.06311142 123.6
[M]- 124.06420858 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe