CID 15021792

(3-ph-2-propynyl)dnj

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CC#CC2=CC=CC=C2)CO)O)O)O
InChI
InChI=1S/C15H19NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-15,17-20H,8-10H2/t12-,13+,14-,15-/m1/s1
InChIKey
MPBXGEJDCODCRV-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(3-phenylprop-2-ynyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1314 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 165.4
[M+Na]+ 300.12062 173.2
[M-H]- 276.12412 163.5
[M+NH4]+ 295.16522 176.1
[M+K]+ 316.09456 166.7
[M+H-H2O]+ 260.12866 152.7
[M+HCOO]- 322.12960 173.8
[M+CH3COO]- 336.14525 196.5
[M+Na-2H]- 298.10607 164.7
[M]+ 277.13085 155.2
[M]- 277.13195 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.