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-dimethyl-4-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

149.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.8
[M+Na]+ 172.073278 138.2
[M-H]- 148.076784 131.8
[M+NH4]+ 167.117883 149.3
[M+K]+ 188.047218 136.7
[M+H-H2O]+ 132.081320 122.9
[M+HCOO]- 194.082261 151.6
[M+CH3COO]- 208.097911 178.2
[M+Na-2H]- 170.058726 134.6
[M]+ 149.08351142 130.2
[M]- 149.08460858 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