CID 6475031

Chembl3084806

Structural Information

Molecular Formula
C11H23NO5
SMILES
CCCCN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO
InChI
InChI=1S/C11H23NO5/c1-2-3-4-12-7(5-13)9(15)11(17)10(16)8(12)6-14/h7-11,13-17H,2-6H2,1H3/t7-,8-,9-,10+,11?/m1/s1
InChIKey
ZQVLWTTWYIVORB-UZJMVKBUSA-N
Compound name
(2R,3S,5R,6R)-1-butyl-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

249.15762 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16490 159.4
[M+Na]+ 272.14684 164.9
[M-H]- 248.15034 154.7
[M+NH4]+ 267.19144 172.7
[M+K]+ 288.12078 161.6
[M+H-H2O]+ 232.15488 154.0
[M+HCOO]- 294.15582 170.9
[M+CH3COO]- 308.17147 185.8
[M+Na-2H]- 270.13229 157.7
[M]+ 249.15707 156.2
[M]- 249.15817 156.2
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

No patent data available for this compound.