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]+ 188.128126 142.7
[M+Na]+ 210.110068 146.5
[M-H]- 186.113574 142.5
[M+NH4]+ 205.154673 159.6
[M+K]+ 226.084008 144.9
[M+H-H2O]+ 170.118110 136.7
[M+HCOO]- 232.119051 153.8
[M+CH3COO]- 246.134701 171.5
[M+Na-2H]- 208.095516 147.8
[M]+ 187.12030142 132.9
[M]- 187.12139858 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.