CID 61918

2-acetyl-3-ethylpyrazine

Structural Information

Molecular Formula
C8H10N2O
SMILES
CCC1=NC=CN=C1C(=O)C
InChI
InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
InChIKey
PPJSYGVFDJEMRP-UHFFFAOYSA-N
Compound name
1-(3-ethylpyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

408
Patents

150.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 129.9
[M+Na]+ 173.068538 138.9
[M-H]- 149.072044 131.2
[M+NH4]+ 168.113143 148.7
[M+K]+ 189.042478 137.3
[M+H-H2O]+ 133.076580 123.0
[M+HCOO]- 195.077521 151.7
[M+CH3COO]- 209.093171 176.8
[M+Na-2H]- 171.053986 137.0
[M]+ 150.07877142 131.0
[M]- 150.07986858 131.0
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