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
5
Annotation Hits

1
References

345
Patents

150.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.6
[M+Na]+ 173.10491 140.9
[M-H]- 149.10841 133.6
[M+NH4]+ 168.14951 151.6
[M+K]+ 189.07885 139.2
[M+H-H2O]+ 133.11295 125.6
[M+HCOO]- 195.11389 153.6
[M+CH3COO]- 209.12954 178.8
[M+Na-2H]- 171.09036 139.1
[M]+ 150.11514 133.4
[M]- 150.11624 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