CID 13227323

72693-15-3

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=CC(=N1)C)C(=O)C
InChI
InChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-7(2)10-6/h4-5H,1-3H3
InChIKey
FLQWILGTHKHWNV-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylpyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

149.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.8
[M+Na]+ 172.07328 138.2
[M-H]- 148.07678 131.8
[M+NH4]+ 167.11788 149.3
[M+K]+ 188.04722 136.7
[M+H-H2O]+ 132.08132 122.9
[M+HCOO]- 194.08226 151.6
[M+CH3COO]- 208.09791 178.2
[M+Na-2H]- 170.05873 134.6
[M]+ 149.08351 130.2
[M]- 149.08461 130.2
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