CID 443522

(1s,4r)-1-hydroxy-2-oxolimonene

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=C)[C@@H]1CC[C@](C(=O)C1)(C)O
InChI
InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
InChIKey
JEQLRDRDFLXSHY-SCZZXKLOSA-N
Compound name
trans-(2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5
Patents

168.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.9
[M+Na]+ 191.10426 142.5
[M-H]- 167.10776 138.1
[M+NH4]+ 186.14886 158.0
[M+K]+ 207.07820 140.8
[M+H-H2O]+ 151.11230 132.1
[M+HCOO]- 213.11324 154.1
[M+CH3COO]- 227.12889 177.8
[M+Na-2H]- 189.08971 138.9
[M]+ 168.11449 132.0
[M]- 168.11559 132.0
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.