CID 591556

1-(5-isobutyl-2-pyrazinyl)-1-propanone

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCC(=O)C1=NC=C(N=C1)CC(C)C
InChI
InChI=1S/C11H16N2O/c1-4-11(14)10-7-12-9(6-13-10)5-8(2)3/h6-8H,4-5H2,1-3H3
InChIKey
ORFBSVKWHDNMRG-UHFFFAOYSA-N
Compound name
1-[5-(2-methylpropyl)pyrazin-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 143.7
[M+Na]+ 215.115488 151.1
[M-H]- 191.118994 144.5
[M+NH4]+ 210.160093 160.7
[M+K]+ 231.089428 149.3
[M+H-H2O]+ 175.123530 136.3
[M+HCOO]- 237.124471 163.5
[M+CH3COO]- 251.140121 186.7
[M+Na-2H]- 213.100936 147.9
[M]+ 192.12572142 145.3
[M]- 192.12681858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe