CID 590241

3,5-dimethyl-2-(2-propenyl)pyrazine

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=CN=C(C(=N1)C)CC=C
InChI
InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4,6H,1,5H2,2-3H3
InChIKey
HZYLCLJYQDFDEA-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-prop-2-enylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.7
[M+Na]+ 171.089268 140.5
[M-H]- 147.092774 132.0
[M+NH4]+ 166.133873 150.0
[M+K]+ 187.063208 137.8
[M+H-H2O]+ 131.097310 124.0
[M+HCOO]- 193.098251 152.9
[M+CH3COO]- 207.113901 178.1
[M+Na-2H]- 169.074716 137.8
[M]+ 148.09950142 131.8
[M]- 148.10059858 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.