CID 521012

2-(3-methylbutyl)pyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(C)CCC1=NC=CN=C1
InChI
InChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
InChIKey
ILKAUWPPPOYQHF-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

150.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 133.1
[M+Na]+ 173.104908 140.3
[M-H]- 149.108414 133.6
[M+NH4]+ 168.149513 151.6
[M+K]+ 189.078848 138.7
[M+H-H2O]+ 133.112950 125.7
[M+HCOO]- 195.113891 154.0
[M+CH3COO]- 209.129541 177.7
[M+Na-2H]- 171.090356 140.3
[M]+ 150.11514142 133.4
[M]- 150.11623858 133.4
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