CID 155822595

En300-27148437

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]+ 141.09100 127.9
[M+Na]+ 163.07294 135.0
[M-H]- 139.07644 129.3
[M+NH4]+ 158.11754 152.5
[M+K]+ 179.04688 132.9
[M+H-H2O]+ 123.08098 124.1
[M+HCOO]- 185.08192 146.4
[M+CH3COO]- 199.09757 171.2
[M+Na-2H]- 161.05839 132.6
[M]+ 140.08317 124.2
[M]- 140.08427 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.