CID 132327939

Rac-(1r,3r)-3-amino-7-oxaspiro[3.5]nonan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1COCCC12[C@@H](C[C@H]2O)N
InChI
InChI=1S/C8H15NO2/c9-6-5-7(10)8(6)1-3-11-4-2-8/h6-7,10H,1-5,9H2/t6-,7-/m1/s1
InChIKey
QAPDFUQUMJKSOX-RNFRBKRXSA-N
Compound name
(1R,3R)-1-amino-7-oxaspiro[3.5]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 129.9
[M+Na]+ 180.09950 134.1
[M-H]- 156.10300 134.0
[M+NH4]+ 175.14410 144.1
[M+K]+ 196.07344 136.8
[M+H-H2O]+ 140.10754 120.1
[M+HCOO]- 202.10848 147.1
[M+CH3COO]- 216.12413 177.8
[M+Na-2H]- 178.08495 136.2
[M]+ 157.10973 132.4
[M]- 157.11083 132.4
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.