CID 591237

Schembl10602942

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe