CID 87466

2-propylpyrazine

Structural Information

Molecular Formula
C7H10N2
SMILES
CCCC1=NC=CN=C1
InChI
InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3
InChIKey
DJLLTFRHLPVCEL-UHFFFAOYSA-N
Compound name
2-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

811
Patents

122.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 124.0
[M+Na]+ 145.07362 138.0
[M+NH4]+ 140.11822 133.0
[M+K]+ 161.04756 130.8
[M-H]- 121.07712 125.8
[M+Na-2H]- 143.05907 132.5
[M]+ 122.08385 126.5
[M]- 122.08495 126.5
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