CID 155822595

Rac-(1r,5r,6s)-6-hydroxybicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1[C@H]2C[C@H]([C@@H]1CC(=O)C2)O
InChI
InChI=1S/C8H12O2/c9-7-2-5-1-6(4-7)8(10)3-5/h5-6,8,10H,1-4H2/t5-,6+,8-/m1/s1
InChIKey
KAHGAIQDVWZELD-GKROBHDKSA-N
Compound name
(1S,5S,6R)-6-hydroxybicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 127.9
[M+Na]+ 163.072938 135.0
[M-H]- 139.076444 129.3
[M+NH4]+ 158.117543 152.5
[M+K]+ 179.046878 132.9
[M+H-H2O]+ 123.080980 124.1
[M+HCOO]- 185.081921 146.4
[M+CH3COO]- 199.097571 171.2
[M+Na-2H]- 161.058386 132.6
[M]+ 140.08317142 124.2
[M]- 140.08426858 124.2
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.