CID 583834

2-isopropenyl-3-methylpyrazine

Structural Information

Molecular Formula
C8H10N2
SMILES
CC1=NC=CN=C1C(=C)C
InChI
InChI=1S/C8H10N2/c1-6(2)8-7(3)9-4-5-10-8/h4-5H,1H2,2-3H3
InChIKey
NJUMRZOJYYCHHV-UHFFFAOYSA-N
Compound name
2-methyl-3-prop-1-en-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

134.0844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 126.5
[M+Na]+ 157.073618 135.5
[M-H]- 133.077124 127.8
[M+NH4]+ 152.118223 146.0
[M+K]+ 173.047558 133.6
[M+H-H2O]+ 117.081660 119.8
[M+HCOO]- 179.082601 148.1
[M+CH3COO]- 193.098251 174.8
[M+Na-2H]- 155.059066 133.7
[M]+ 134.08385142 126.2
[M]- 134.08494858 126.2
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.