CID 15257

4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H8N2
SMILES
CC1=CC(=NC=N1)C
InChI
InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
InChIKey
LSBIUXKNVUBKRI-UHFFFAOYSA-N
Compound name
4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

2781
Patents

108.06875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.07603 118.6
[M+Na]+ 131.05797 128.4
[M-H]- 107.06147 120.0
[M+NH4]+ 126.10257 139.3
[M+K]+ 147.03191 127.1
[M+H-H2O]+ 91.066010 112.1
[M+HCOO]- 153.06695 141.6
[M+CH3COO]- 167.08260 168.8
[M+Na-2H]- 129.04342 128.0
[M]+ 108.06820 118.9
[M]- 108.06930 118.9
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