CID 3075388

Alpha-d-glucopyranosylallylamine

Structural Information

Molecular Formula
C9H17NO5
SMILES
C=CCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C9H17NO5/c1-2-3-10-9-8(14)7(13)6(12)5(4-11)15-9/h2,5-14H,1,3-4H2/t5-,6-,7+,8-,9+/m1/s1
InChIKey
HYHFUUJWYZCDBC-ZEBDFXRSSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-enylamino)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11067 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11795 148.1
[M+Na]+ 242.09989 155.2
[M+NH4]+ 237.14449 152.7
[M+K]+ 258.07383 153.0
[M-H]- 218.10339 147.6
[M+Na-2H]- 240.08534 147.5
[M]+ 219.11012 148.3
[M]- 219.11122 148.3
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.