CID 16218074

3-acetyl-2,6-dimethoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

literature stripe

Patent stripe

patents stripe