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 125.2
[M+Na]+ 149.05730 133.7
[M-H]- 125.06080 127.2
[M+NH4]+ 144.10190 152.1
[M+K]+ 165.03124 131.8
[M+H-H2O]+ 109.06534 122.1
[M+HCOO]- 171.06628 146.3
[M+CH3COO]- 185.08193 168.4
[M+Na-2H]- 147.04275 129.1
[M]+ 126.06753 123.4
[M]- 126.06863 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.