CID 73038179

2-o-alpha-d-galactopyranosyl-1-deoxynojirimycin

Structural Information

Molecular Formula
C12H23NO9
SMILES
C1C(C(C(C(N1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2
InChIKey
CQLSQWAVFSEMIE-UHFFFAOYSA-N
Compound name
2-[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

325.13727 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14455 174.0
[M+Na]+ 348.12649 176.9
[M-H]- 324.12999 169.0
[M+NH4]+ 343.17109 180.0
[M+K]+ 364.10043 175.0
[M+H-H2O]+ 308.13453 167.4
[M+HCOO]- 370.13547 177.4
[M+CH3COO]- 384.15112 194.1
[M+Na-2H]- 346.11194 170.4
[M]+ 325.13672 166.8
[M]- 325.13782 166.8
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