CID 578817

3,5-dimethyl-2-isobutylpyrazine

Structural Information

Molecular Formula
C10H16N2
SMILES
CC1=CN=C(C(=N1)C)CC(C)C
InChI
InChI=1S/C10H16N2/c1-7(2)5-10-9(4)12-8(3)6-11-10/h6-7H,5H2,1-4H3
InChIKey
PBBZXNLEMPGGCH-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

110
Patents

164.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.7
[M+Na]+ 187.12057 145.5
[M-H]- 163.12407 138.0
[M+NH4]+ 182.16517 155.4
[M+K]+ 203.09451 143.6
[M+H-H2O]+ 147.12861 129.8
[M+HCOO]- 209.12955 157.4
[M+CH3COO]- 223.14520 182.9
[M+Na-2H]- 185.10602 142.0
[M]+ 164.13080 138.2
[M]- 164.13190 138.2
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