CID 590243

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

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 149.10733 130.7
[M+Na]+ 171.08927 140.5
[M-H]- 147.09277 132.0
[M+NH4]+ 166.13387 150.0
[M+K]+ 187.06321 137.8
[M+H-H2O]+ 131.09731 124.0
[M+HCOO]- 193.09825 152.9
[M+CH3COO]- 207.11390 178.1
[M+Na-2H]- 169.07472 137.8
[M]+ 148.09950 131.8
[M]- 148.10060 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.