CID 15847402

6-acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1h)-pyridinone

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC(=O)C1=CC(=O)CC(N1)CO
InChI
InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3
InChIKey
SIWHSHNFBDSUFB-UHFFFAOYSA-N
Compound name
6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.8
[M+Na]+ 192.06312 141.8
[M-H]- 168.06662 134.3
[M+NH4]+ 187.10772 152.6
[M+K]+ 208.03706 139.5
[M+H-H2O]+ 152.07116 129.2
[M+HCOO]- 214.07210 152.5
[M+CH3COO]- 228.08775 174.0
[M+Na-2H]- 190.04857 138.0
[M]+ 169.07335 131.3
[M]- 169.07445 131.3
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

No patent data available for this compound.