CID 85228

2-butyl-3-methylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCCC1=NC=CN=C1C
InChI
InChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3
InChIKey
IRSIKJPEFMMRHD-UHFFFAOYSA-N
Compound name
2-butyl-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

99
Patents

150.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.5
[M+Na]+ 173.10491 141.0
[M-H]- 149.10841 133.4
[M+NH4]+ 168.14951 151.5
[M+K]+ 189.07885 138.9
[M+H-H2O]+ 133.11295 125.3
[M+HCOO]- 195.11389 154.5
[M+CH3COO]- 209.12954 177.9
[M+Na-2H]- 171.09036 140.2
[M]+ 150.11514 133.9
[M]- 150.11624 133.9
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