CID 5372953

2,3-dimethyl-5-(1-propenyl)pyrazine

Structural Information

Molecular Formula
C9H12N2
SMILES
C/C=C/C1=CN=C(C(=N1)C)C
InChI
InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4-6H,1-3H3/b5-4+
InChIKey
BNYRAFHQRSHWGQ-SNAWJCMRSA-N
Compound name
2,3-dimethyl-5-[(E)-prop-1-enyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.9
[M+Na]+ 171.089268 140.8
[M-H]- 147.092774 132.3
[M+NH4]+ 166.133873 150.4
[M+K]+ 187.063208 138.1
[M+H-H2O]+ 131.097310 124.2
[M+HCOO]- 193.098251 153.2
[M+CH3COO]- 207.113901 177.4
[M+Na-2H]- 169.074716 138.0
[M]+ 148.09950142 131.9
[M]- 148.10059858 131.9
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

patents stripe