CID 6431144

2-ethenyl-3-ethyl-5-methylpyrazine

Structural Information

Molecular Formula
C9H12N2
SMILES
CCC1=NC(=CN=C1C=C)C
InChI
InChI=1S/C9H12N2/c1-4-8-9(5-2)11-7(3)6-10-8/h4,6H,1,5H2,2-3H3
InChIKey
YSQNQOKRWIKETP-UHFFFAOYSA-N
Compound name
2-ethenyl-3-ethyl-5-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

32
Patents

148.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 130.7
[M+Na]+ 171.08927 140.5
[M-H]- 147.09277 132.0
[M+NH4]+ 166.13387 150.0
[M+K]+ 187.06321 137.8
[M+H-H2O]+ 131.09731 124.0
[M+HCOO]- 193.09825 152.9
[M+CH3COO]- 207.11390 178.1
[M+Na-2H]- 169.07472 137.8
[M]+ 148.09950 131.8
[M]- 148.10060 131.8
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