CID 124709753

Rac-(1r,2s)-2-(aminomethyl)-8-oxaspiro[4.5]decan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
C1CC2(CCOCC2)[C@@H]([C@@H]1CN)O
InChI
InChI=1S/C10H19NO2/c11-7-8-1-2-10(9(8)12)3-5-13-6-4-10/h8-9,12H,1-7,11H2/t8-,9+/m0/s1
InChIKey
OIUBYVDAXPFJEB-DTWKUNHWSA-N
Compound name
(3S,4R)-3-(aminomethyl)-8-oxaspiro[4.5]decan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 142.0
[M+Na]+ 208.13081 146.4
[M-H]- 184.13431 145.6
[M+NH4]+ 203.17541 163.1
[M+K]+ 224.10475 145.1
[M+H-H2O]+ 168.13885 136.9
[M+HCOO]- 230.13979 159.5
[M+CH3COO]- 244.15544 178.4
[M+Na-2H]- 206.11626 145.6
[M]+ 185.14104 134.6
[M]- 185.14214 134.6
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.