CID 82550

3,4-dihydro-6-methyl-2-pyridone

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=CCCC(=O)N1
InChI
InChI=1S/C6H9NO/c1-5-3-2-4-6(8)7-5/h3H,2,4H2,1H3,(H,7,8)
InChIKey
AKOQCIDGAATASX-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.6
[M+Na]+ 134.057628 128.1
[M-H]- 110.061134 121.5
[M+NH4]+ 129.102233 141.5
[M+K]+ 150.031568 126.4
[M+H-H2O]+ 94.065670 115.2
[M+HCOO]- 156.066611 140.9
[M+CH3COO]- 170.082261 165.1
[M+Na-2H]- 132.043076 127.3
[M]+ 111.06786142 116.3
[M]- 111.06895858 116.3
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