CID 12279833

61941-79-5

Structural Information

Molecular Formula
C6H7NO2
SMILES
COC1=CNC(=O)C=C1
InChI
InChI=1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey
OLQMORKJFAJCAT-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 120.1
[M+Na]+ 148.03689 129.6
[M-H]- 124.04040 121.7
[M+NH4]+ 143.08150 140.6
[M+K]+ 164.01083 127.9
[M+H-H2O]+ 108.04494 114.5
[M+HCOO]- 170.04588 143.6
[M+CH3COO]- 184.06153 166.5
[M+Na-2H]- 146.02234 128.8
[M]+ 125.04713 120.1
[M]- 125.04822 120.1
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