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 148.7
[M+Na]+ 242.09989 154.1
[M-H]- 218.10339 147.4
[M+NH4]+ 237.14449 163.1
[M+K]+ 258.07383 152.2
[M+H-H2O]+ 202.10793 143.4
[M+HCOO]- 264.10887 164.0
[M+CH3COO]- 278.12452 182.6
[M+Na-2H]- 240.08534 150.5
[M]+ 219.11012 144.8
[M]- 219.11122 144.8
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.