CID 3023272

2-phenyl-5-propylpyrazine

Structural Information

Molecular Formula
C13H14N2
SMILES
CCCC1=CN=C(C=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2/c1-2-6-12-9-15-13(10-14-12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKey
LEOYBBISWJJHQM-UHFFFAOYSA-N
Compound name
2-phenyl-5-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 144.1
[M+Na]+ 221.104908 152.2
[M-H]- 197.108414 147.9
[M+NH4]+ 216.149513 160.6
[M+K]+ 237.078848 148.1
[M+H-H2O]+ 181.112950 135.3
[M+HCOO]- 243.113891 166.1
[M+CH3COO]- 257.129541 156.7
[M+Na-2H]- 219.090356 152.2
[M]+ 198.11514142 144.2
[M]- 198.11623858 144.2
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.