CID 7938

2,6-dimethylpyrazine

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

74
References

4490
Patents

108.06875 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.076026 118.6
[M+Na]+ 131.057968 128.4
[M-H]- 107.061474 120.0
[M+NH4]+ 126.102573 139.3
[M+K]+ 147.031908 127.1
[M+H-H2O]+ 91.066010 112.1
[M+HCOO]- 153.066951 141.6
[M+CH3COO]- 167.082601 168.8
[M+Na-2H]- 129.043416 128.0
[M]+ 108.06820142 118.9
[M]- 108.06929858 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