CID 145909665

Rac-(3r,4s)-9-oxa-1-azaspiro[5.5]undecane-3,4-diol hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1COCCC12C[C@@H]([C@@H](CN2)O)O
InChI
InChI=1S/C9H17NO3/c11-7-5-9(10-6-8(7)12)1-3-13-4-2-9/h7-8,10-12H,1-6H2/t7-,8+/m0/s1
InChIKey
CPRATXICNQHASD-JGVFFNPUSA-N
Compound name
(3R,4S)-9-oxa-1-azaspiro[5.5]undecane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.7
[M+Na]+ 210.11007 146.5
[M-H]- 186.11357 142.5
[M+NH4]+ 205.15467 159.6
[M+K]+ 226.08401 144.9
[M+H-H2O]+ 170.11811 136.7
[M+HCOO]- 232.11905 153.8
[M+CH3COO]- 246.13470 171.5
[M+Na-2H]- 208.09552 147.8
[M]+ 187.12030 132.9
[M]- 187.12140 132.9
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.