CID 448208

Ara-alpha(1,3)-xyl

Structural Information

Molecular Formula
C10H18O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI
InChI=1S/C10H18O9/c11-1-4-5(13)6(14)10(18-4)19-8-3(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+/m1/s1
InChIKey
XAQWBYJKZNCZPL-DBMHWZGKSA-N
Compound name
(2R,3R,4S,5R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.0951 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10238 158.4
[M+Na]+ 305.08432 163.1
[M-H]- 281.08782 158.5
[M+NH4]+ 300.12892 169.3
[M+K]+ 321.05826 163.3
[M+H-H2O]+ 265.09236 153.6
[M+HCOO]- 327.09330 168.0
[M+CH3COO]- 341.10895 186.8
[M+Na-2H]- 303.06977 157.5
[M]+ 282.09455 155.7
[M]- 282.09565 155.7
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

patents stripe