CID 49768191

(3s,4s)-1-(2-hydroxyethyl)piperidine-3,4-diol

Structural Information

Molecular Formula
C7H15NO3
SMILES
C1CN(C[C@@H]([C@H]1O)O)CCO
InChI
InChI=1S/C7H15NO3/c9-4-3-8-2-1-6(10)7(11)5-8/h6-7,9-11H,1-5H2/t6-,7-/m0/s1
InChIKey
YPSFEDAYBJVDHQ-BQBZGAKWSA-N
Compound name
(3S,4S)-1-(2-hydroxyethyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 135.8
[M+Na]+ 184.09442 141.4
[M-H]- 160.09792 133.5
[M+NH4]+ 179.13902 153.3
[M+K]+ 200.06836 139.4
[M+H-H2O]+ 144.10246 130.3
[M+HCOO]- 206.10340 151.4
[M+CH3COO]- 220.11905 169.8
[M+Na-2H]- 182.07987 139.1
[M]+ 161.10465 130.7
[M]- 161.10575 130.7
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.