CID 3075388

178738-66-4

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]+ 220.117946 148.7
[M+Na]+ 242.099888 154.1
[M-H]- 218.103394 147.4
[M+NH4]+ 237.144493 163.1
[M+K]+ 258.073828 152.2
[M+H-H2O]+ 202.107930 143.4
[M+HCOO]- 264.108871 164.0
[M+CH3COO]- 278.124521 182.6
[M+Na-2H]- 240.085336 150.5
[M]+ 219.11012142 144.8
[M]- 219.11121858 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.