CID 13140339

3,4-dimethylpyridin-2(1h)-one

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=C(C(=O)NC=C1)C
InChI
InChI=1S/C7H9NO/c1-5-3-4-8-7(9)6(5)2/h3-4H,1-2H3,(H,8,9)
InChIKey
KJFYQQHJMMWTPL-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

123.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.0
[M+Na]+ 146.05763 131.1
[M-H]- 122.06113 122.8
[M+NH4]+ 141.10223 142.0
[M+K]+ 162.03157 128.6
[M+H-H2O]+ 106.06567 115.7
[M+HCOO]- 168.06661 143.9
[M+CH3COO]- 182.08226 168.7
[M+Na-2H]- 144.04308 128.5
[M]+ 123.06786 120.4
[M]- 123.06896 120.4
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