CID 11988137

(5r)-3-hydroxymenthone

Structural Information

Molecular Formula
C10H18O2
SMILES
C[C@@H]1CC(C(C(=O)C1)C(C)C)O
InChI
InChI=1S/C10H18O2/c1-6(2)10-8(11)4-7(3)5-9(10)12/h6-8,10-11H,4-5H2,1-3H3/t7-,8?,10?/m1/s1
InChIKey
GEYCROHXUAMOSF-ZNFPMYQNSA-N
Compound name
(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.7
[M+Na]+ 193.119898 144.0
[M-H]- 169.123404 139.9
[M+NH4]+ 188.164503 158.0
[M+K]+ 209.093838 142.6
[M+H-H2O]+ 153.127940 133.1
[M+HCOO]- 215.128881 155.7
[M+CH3COO]- 229.144531 180.3
[M+Na-2H]- 191.105346 138.8
[M]+ 170.13013142 134.5
[M]- 170.13122858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.