CID 12331413

63487-00-3

Structural Information

Molecular Formula
C7H9NO2
SMILES
CN1C(=O)C=CC=C1CO
InChI
InChI=1S/C7H9NO2/c1-8-6(5-9)3-2-4-7(8)10/h2-4,9H,5H2,1H3
InChIKey
JEQUOHXRFQEVFW-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

139.06332 Da
Monoisotopic Mass

-0.5
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

No literature data available for this compound.

Patent stripe

patents stripe