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
6
Annotation Hits

1
References

945
Patents

122.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 123.5
[M+Na]+ 145.073618 131.9
[M-H]- 121.077124 124.3
[M+NH4]+ 140.118223 143.3
[M+K]+ 161.047558 130.4
[M+H-H2O]+ 105.081660 116.5
[M+HCOO]- 167.082601 146.2
[M+CH3COO]- 181.098251 170.8
[M+Na-2H]- 143.059066 133.1
[M]+ 122.08385142 123.8
[M]- 122.08494858 123.8
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