CID 572706

1-(2,5-dimethyl-3-pyrazinyl)-3-methyl-1-butanone

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=CN=C(C(=N1)C(=O)CC(C)C)C
InChI
InChI=1S/C11H16N2O/c1-7(2)5-10(14)11-9(4)12-6-8(3)13-11/h6-7H,5H2,1-4H3
InChIKey
BGXOBLYAFPNZRO-UHFFFAOYSA-N
Compound name
1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.0
[M+Na]+ 215.115488 151.4
[M-H]- 191.118994 144.2
[M+NH4]+ 210.160093 160.4
[M+K]+ 231.089428 149.6
[M+H-H2O]+ 175.123530 135.9
[M+HCOO]- 237.124471 162.8
[M+CH3COO]- 251.140121 187.9
[M+Na-2H]- 213.100936 146.5
[M]+ 192.12572142 145.0
[M]- 192.12681858 145.0
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.