CID 9989819

Nojirimycin

Structural Information

Molecular Formula
C6H13NO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](C(N1)O)O)O)O)O
InChI
InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKey
BGMYHTUCJVZIRP-QTVWNMPRSA-N
Compound name
(3S,4S,5R,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

85
References

1935
Patents

179.07938 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 138.6
[M+Na]+ 202.068598 145.0
[M-H]- 178.072104 133.0
[M+NH4]+ 197.113203 153.6
[M+K]+ 218.042538 141.8
[M+H-H2O]+ 162.076640 133.9
[M+HCOO]- 224.077581 150.2
[M+CH3COO]- 238.093231 167.3
[M+Na-2H]- 200.054046 139.5
[M]+ 179.07883142 131.3
[M]- 179.07992858 131.3
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

patents stripe