CID 13081754

2-ethynyl-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=NC(=N1)C#C)C
InChI
InChI=1S/C8H8N2/c1-4-8-9-6(2)5-7(3)10-8/h1,5H,2-3H3
InChIKey
VGWRJXCDOHBOSC-UHFFFAOYSA-N
Compound name
2-ethynyl-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 123.1
[M+Na]+ 155.057958 134.7
[M-H]- 131.061464 122.8
[M+NH4]+ 150.102563 140.5
[M+K]+ 171.031898 131.6
[M+H-H2O]+ 115.066000 110.3
[M+HCOO]- 177.066941 139.6
[M+CH3COO]- 191.082591 183.2
[M+Na-2H]- 153.043406 129.7
[M]+ 132.06819142 118.2
[M]- 132.06928858 118.2
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

No patent data available for this compound.