CID 71661156

(3s,4r)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CN(C(=O)[C@H]([C@@H]1O)O)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-11-8-9-15(14(19)13(11)18)12(17)7-6-10-4-2-1-3-5-10/h1-5,11,13,16,18H,6-9H2/t11-,13+/m1/s1
InChIKey
JYOKZZBTMGNMFG-YPMHNXCESA-N
Compound name
(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.5
[M+Na]+ 286.10497 165.0
[M-H]- 262.10847 161.7
[M+NH4]+ 281.14957 173.2
[M+K]+ 302.07891 161.5
[M+H-H2O]+ 246.11301 152.0
[M+HCOO]- 308.11395 175.4
[M+CH3COO]- 322.12960 191.2
[M+Na-2H]- 284.09042 160.5
[M]+ 263.11520 156.0
[M]- 263.11630 156.0
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.