CID 45087818

371765-69-4

Structural Information

Molecular Formula
C7H9NO2
SMILES
CN1C=CC(=CC1=O)CO
InChI
InChI=1S/C7H9NO2/c1-8-3-2-6(5-9)4-7(8)10/h2-4,9H,5H2,1H3
InChIKey
ZBAXPNQGKAJZAZ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

139.06332 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.5
[M+Na]+ 162.05254 139.0
[M+NH4]+ 157.09714 133.5
[M+K]+ 178.02648 133.3
[M-H]- 138.05604 126.5
[M+Na-2H]- 160.03799 132.3
[M]+ 139.06277 127.6
[M]- 139.06387 127.6
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