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]+ 158.117556 129.9
[M+Na]+ 180.099498 134.1
[M-H]- 156.103004 134.0
[M+NH4]+ 175.144103 144.1
[M+K]+ 196.073438 136.8
[M+H-H2O]+ 140.107540 120.1
[M+HCOO]- 202.108481 147.1
[M+CH3COO]- 216.124131 177.8
[M+Na-2H]- 178.084946 136.2
[M]+ 157.10973142 132.4
[M]- 157.11082858 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.