CID 14296

2,3,5,6-tetramethylpyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=C(N=C(C(=N1)C)C)C
InChI
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
InChIKey
FINHMKGKINIASC-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethylpyrazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1241
References

9727
Patents

136.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.0
[M+Na]+ 159.08927 137.9
[M-H]- 135.09277 128.9
[M+NH4]+ 154.13387 147.2
[M+K]+ 175.06321 136.0
[M+H-H2O]+ 119.09731 120.7
[M+HCOO]- 181.09825 149.3
[M+CH3COO]- 195.11390 177.1
[M+Na-2H]- 157.07472 133.8
[M]+ 136.09950 128.8
[M]- 136.10060 128.8
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