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
1
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]+ 199.12297 144.1
[M+Na]+ 221.10491 152.2
[M-H]- 197.10841 147.9
[M+NH4]+ 216.14951 160.6
[M+K]+ 237.07885 148.1
[M+H-H2O]+ 181.11295 135.3
[M+HCOO]- 243.11389 166.1
[M+CH3COO]- 257.12954 156.7
[M+Na-2H]- 219.09036 152.2
[M]+ 198.11514 144.2
[M]- 198.11624 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.