CID 22185220

2,6-dimethylpyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=CC(=NC(=N1)C)C=O
InChI
InChI=1S/C7H8N2O/c1-5-3-7(4-10)9-6(2)8-5/h3-4H,1-2H3
InChIKey
DDNZMSHBGPIXPX-UHFFFAOYSA-N
Compound name
2,6-dimethylpyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

136.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.8
[M+Na]+ 159.052878 135.4
[M-H]- 135.056384 126.5
[M+NH4]+ 154.097483 144.6
[M+K]+ 175.026818 133.7
[M+H-H2O]+ 119.060920 118.3
[M+HCOO]- 181.061861 147.9
[M+CH3COO]- 195.077511 174.0
[M+Na-2H]- 157.038326 132.9
[M]+ 136.06311142 126.6
[M]- 136.06420858 126.6
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