CID 15565293

Rac-(1r,2r,5r)-bicyclo[3.2.1]octan-2-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C1C[C@@H]2C[C@H]1CC[C@H]2O
InChI
InChI=1S/C8H14O/c9-8-4-2-6-1-3-7(8)5-6/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKey
PVDVHTXERCKKSW-BWZBUEFSSA-N
Compound name
(1R,2R,5R)-bicyclo[3.2.1]octan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.6
[M+Na]+ 149.09368 132.6
[M-H]- 125.09718 127.7
[M+NH4]+ 144.13828 151.6
[M+K]+ 165.06762 130.6
[M+H-H2O]+ 109.10172 122.5
[M+HCOO]- 171.10266 144.8
[M+CH3COO]- 185.11831 168.9
[M+Na-2H]- 147.07913 131.9
[M]+ 126.10391 121.8
[M]- 126.10501 121.8
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.