CID 26333

2-isobutyl-3-methylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1=NC=CN=C1CC(C)C
InChI
InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3
InChIKey
ZHMIODDNZRIENW-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

332
Patents

150.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.6
[M+Na]+ 173.104908 140.9
[M-H]- 149.108414 133.6
[M+NH4]+ 168.149513 151.6
[M+K]+ 189.078848 139.2
[M+H-H2O]+ 133.112950 125.6
[M+HCOO]- 195.113891 153.6
[M+CH3COO]- 209.129541 178.8
[M+Na-2H]- 171.090356 139.1
[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