CID 88731

20928-63-6

Structural Information

Molecular Formula
C6H7NO2
SMILES
COC1=CC=CNC1=O
InChI
InChI=1S/C6H7NO2/c1-9-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
InChIKey
LKIMDXQLHFCXQF-UHFFFAOYSA-N
Compound name
3-methoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

406
Patents

125.047676 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe