CID 26334

2-ethyl-3,5-dimethylpyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=NC=C(N=C1C)C
InChI
InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
InChIKey
JZBCTZLGKSYRSF-UHFFFAOYSA-N
Compound name
2-ethyl-3,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

2854
Patents

136.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.5
[M+Na]+ 159.08927 137.4
[M-H]- 135.09277 129.0
[M+NH4]+ 154.13387 147.4
[M+K]+ 175.06321 135.6
[M+H-H2O]+ 119.09731 120.9
[M+HCOO]- 181.09825 149.8
[M+CH3COO]- 195.11390 176.0
[M+Na-2H]- 157.07472 135.1
[M]+ 136.09950 128.9
[M]- 136.10060 128.9
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