CID 68895931

Schembl313555

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=CNC(=O)C(=C1OC)C
InChI
InChI=1S/C8H11NO2/c1-5-4-9-8(10)6(2)7(5)11-3/h4H,1-3H3,(H,9,10)
InChIKey
YKXFUOQZGXTJHK-UHFFFAOYSA-N
Compound name
4-methoxy-3,5-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 128.3
[M+Na]+ 176.068198 138.8
[M-H]- 152.071704 130.3
[M+NH4]+ 171.112803 148.3
[M+K]+ 192.042138 136.7
[M+H-H2O]+ 136.076240 122.8
[M+HCOO]- 198.077181 151.1
[M+CH3COO]- 212.092831 175.0
[M+Na-2H]- 174.053646 134.6
[M]+ 153.07843142 129.9
[M]- 153.07952858 129.9
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