CID 6324715

62885-38-5

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=O)C(=CN1)OC
InChI
InChI=1S/C7H9NO2/c1-5-3-6(9)7(10-2)4-8-5/h3-4H,1-2H3,(H,8,9)
InChIKey
YWTABUOSSFWBME-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 124.2
[M+Na]+ 162.05254 134.3
[M-H]- 138.05604 126.0
[M+NH4]+ 157.09714 144.5
[M+K]+ 178.02648 132.3
[M+H-H2O]+ 122.06058 118.7
[M+HCOO]- 184.06152 147.4
[M+CH3COO]- 198.07717 170.7
[M+Na-2H]- 160.03799 131.7
[M]+ 139.06277 125.1
[M]- 139.06387 125.1
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