CID 46318111

1-(5,6-dimethoxypyridin-2-yl)ethanone

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(=O)C1=NC(=C(C=C1)OC)OC
InChI
InChI=1S/C9H11NO3/c1-6(11)7-4-5-8(12-2)9(10-7)13-3/h4-5H,1-3H3
InChIKey
XNEPIRBDNGNMDZ-UHFFFAOYSA-N
Compound name
1-(5,6-dimethoxypyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 135.3
[M+Na]+ 204.06312 144.5
[M-H]- 180.06662 138.2
[M+NH4]+ 199.10772 154.4
[M+K]+ 220.03706 144.0
[M+H-H2O]+ 164.07116 128.9
[M+HCOO]- 226.07210 158.5
[M+CH3COO]- 240.08775 182.3
[M+Na-2H]- 202.04857 141.1
[M]+ 181.07335 139.5
[M]- 181.07445 139.5
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