CID 556605

1-(3-methoxy-2-pyrazinyl)-2-methyl-1-propanone

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)C(=O)C1=NC=CN=C1OC
InChI
InChI=1S/C9H12N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6H,1-3H3
InChIKey
CLPZOSRYYRHSJP-UHFFFAOYSA-N
Compound name
1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.6
[M+Na]+ 203.079088 145.7
[M-H]- 179.082594 138.7
[M+NH4]+ 198.123693 155.0
[M+K]+ 219.053028 144.9
[M+H-H2O]+ 163.087130 130.3
[M+HCOO]- 225.088071 158.2
[M+CH3COO]- 239.103721 182.7
[M+Na-2H]- 201.064536 142.8
[M]+ 180.08932142 139.9
[M]- 180.09041858 139.9
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