CID 165951062

Rac-(3r,4r)-1-oxa-7-azaspiro[4.5]decane-3,4-diol hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CC2(CNC1)[C@@H]([C@@H](CO2)O)O
InChI
InChI=1S/C8H15NO3/c10-6-4-12-8(7(6)11)2-1-3-9-5-8/h6-7,9-11H,1-5H2/t6-,7-,8?/m1/s1
InChIKey
UFUCAQZHYBKWGR-GCJDJSOWSA-N
Compound name
(3R,4R)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.7
[M+Na]+ 196.09442 142.9
[M-H]- 172.09792 138.0
[M+NH4]+ 191.13902 157.1
[M+K]+ 212.06836 141.3
[M+H-H2O]+ 156.10246 132.6
[M+HCOO]- 218.10340 151.4
[M+CH3COO]- 232.11905 167.9
[M+Na-2H]- 194.07987 141.9
[M]+ 173.10465 129.7
[M]- 173.10575 129.7
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.