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]+ 127.075356 125.2
[M+Na]+ 149.057298 133.7
[M-H]- 125.060804 127.2
[M+NH4]+ 144.101903 152.1
[M+K]+ 165.031238 131.8
[M+H-H2O]+ 109.065340 122.1
[M+HCOO]- 171.066281 146.3
[M+CH3COO]- 185.081931 168.4
[M+Na-2H]- 147.042746 129.1
[M]+ 126.06753142 123.4
[M]- 126.06862858 123.4
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.