CID 155821670

2752518-40-2

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1C[C@H]2[C@@H](C[C@@H]1[C@H]([C@H]2O)O)N
InChI
InChI=1S/C8H15NO2/c9-6-3-4-1-2-5(6)8(11)7(4)10/h4-8,10-11H,1-3,9H2/t4-,5+,6-,7-,8+/m1/s1
InChIKey
OUKCZIUDNNTPOG-UOLFYFMNSA-N
Compound name
(1R,2R,3S,4S,5R)-5-aminobicyclo[2.2.2]octane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.1
[M+Na]+ 180.09950 137.9
[M-H]- 156.10300 127.3
[M+NH4]+ 175.14410 157.1
[M+K]+ 196.07344 135.5
[M+H-H2O]+ 140.10754 130.3
[M+HCOO]- 202.10848 143.2
[M+CH3COO]- 216.12413 143.5
[M+Na-2H]- 178.08495 142.4
[M]+ 157.10973 130.6
[M]- 157.11083 130.6
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.