CID 9989819

15218-38-9

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

1884
Patents

179.07938 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08666 138.6
[M+Na]+ 202.06860 145.0
[M-H]- 178.07210 133.0
[M+NH4]+ 197.11320 153.6
[M+K]+ 218.04254 141.8
[M+H-H2O]+ 162.07664 133.9
[M+HCOO]- 224.07758 150.2
[M+CH3COO]- 238.09323 167.3
[M+Na-2H]- 200.05405 139.5
[M]+ 179.07883 131.3
[M]- 179.07993 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