CID 151026

Allyl galactopyranoside

Structural Information

Molecular Formula
C9H16O6
SMILES
C=CCOC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9?/m1/s1
InChIKey
XJNKZTHFPGIJNS-MBOVONDJSA-N
Compound name
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

686
Patents

220.09468 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.101956 146.6
[M+Na]+ 243.083898 152.8
[M-H]- 219.087404 145.4
[M+NH4]+ 238.128503 161.4
[M+K]+ 259.057838 151.5
[M+H-H2O]+ 203.091940 141.7
[M+HCOO]- 265.092881 161.2
[M+CH3COO]- 279.108531 179.5
[M+Na-2H]- 241.069346 148.4
[M]+ 220.09413142 145.1
[M]- 220.09522858 145.1
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