CID 25797

2,5-diethylpyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=CN=C(C=N1)CC
InChI
InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3
InChIKey
WAVOLMBVDCRBGR-UHFFFAOYSA-N
Compound name
2,5-diethylpyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

284
Patents

136.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.3
[M+Na]+ 159.08927 142.5
[M+NH4]+ 154.13387 137.1
[M+K]+ 175.06321 135.2
[M-H]- 135.09277 130.1
[M+Na-2H]- 157.07472 136.3
[M]+ 136.09950 130.9
[M]- 136.10060 130.9
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