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]+ 158.117556 133.1
[M+Na]+ 180.099498 137.9
[M-H]- 156.103004 127.3
[M+NH4]+ 175.144103 157.1
[M+K]+ 196.073438 135.5
[M+H-H2O]+ 140.107540 130.3
[M+HCOO]- 202.108481 143.2
[M+CH3COO]- 216.124131 143.5
[M+Na-2H]- 178.084946 142.4
[M]+ 157.10973142 130.6
[M]- 157.11082858 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.