CID 13974585

Rac-(1r,4r,5r)-5-hydroxybicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1[C@@H]2C[C@H]([C@H]1CC2=O)O
InChI
InChI=1S/C7H10O2/c8-6-2-4-1-5(6)3-7(4)9/h4-6,8H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
MEKPWSWDFQIUGH-HSUXUTPPSA-N
Compound name
(1R,4R,5R)-5-hydroxybicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.2
[M+Na]+ 149.05730 132.9
[M+NH4]+ 144.10190 133.5
[M+K]+ 165.03124 131.4
[M-H]- 125.06080 123.8
[M+Na-2H]- 147.04275 125.3
[M]+ 126.06753 124.9
[M]- 126.06863 124.9
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.