CID 3056779

Phenethylamine, n-d-(-)-glucosyl-

Structural Information

Molecular Formula
C14H21NO5
SMILES
C1=CC=C(C=C1)CCN[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C14H21NO5/c16-8-11(13(19)14(20)12(18)9-17)15-7-6-10-4-2-1-3-5-10/h1-5,8,11-15,17-20H,6-7,9H2/t11-,12+,13+,14+/m0/s1
InChIKey
JDXXZKMEHIOQJU-REWJHTLYSA-N
Compound name
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(2-phenylethylamino)hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14197 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14925 166.8
[M+Na]+ 306.13119 172.3
[M+NH4]+ 301.17579 170.4
[M+K]+ 322.10513 170.7
[M-H]- 282.13469 164.3
[M+Na-2H]- 304.11664 167.5
[M]+ 283.14142 166.1
[M]- 283.14252 166.1
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.