CID 89953482

Cn128

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC1=C(C(=O)C=CN1[C@H](CC2=CC=CC=C2)CO)O
InChI
InChI=1S/C15H17NO3/c1-11-15(19)14(18)7-8-16(11)13(10-17)9-12-5-3-2-4-6-12/h2-8,13,17,19H,9-10H2,1H3/t13-/m1/s1
InChIKey
FAYRGKKCBATAET-CYBMUJFWSA-N
Compound name
3-hydroxy-1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.4
[M+Na]+ 282.11007 166.3
[M-H]- 258.11357 161.5
[M+NH4]+ 277.15467 172.6
[M+K]+ 298.08401 161.9
[M+H-H2O]+ 242.11811 150.7
[M+HCOO]- 304.11905 177.9
[M+CH3COO]- 318.13470 192.4
[M+Na-2H]- 280.09552 161.7
[M]+ 259.12030 158.8
[M]- 259.12140 158.8
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.