CID 47003370

1179886-87-3

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CN1C=CC(=CC1=O)C(=O)N2CCC(CC2)CO
InChI
InChI=1S/C13H18N2O3/c1-14-5-4-11(8-12(14)17)13(18)15-6-2-10(9-16)3-7-15/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKey
JCYLFIAOTOOSAY-UHFFFAOYSA-N
Compound name
4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 157.5
[M+Na]+ 273.12096 169.3
[M+NH4]+ 268.16556 163.7
[M+K]+ 289.09490 164.0
[M-H]- 249.12446 158.8
[M+Na-2H]- 271.10641 162.6
[M]+ 250.13119 159.3
[M]- 250.13229 159.3
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.