CID 5283272

(e,3s)-1,3-dihydroxydec-8-en-5-one

Structural Information

Molecular Formula
C10H18O3
SMILES
C/C=C/CCC(=O)C[C@H](CCO)O
InChI
InChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/t10-/m0/s1
InChIKey
SHHVNLZCXWAKNG-PBKGFPTLSA-N
Compound name
(E,3S)-1,3-dihydroxydec-8-en-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

186.1256 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 145.6
[M+Na]+ 209.11482 150.5
[M-H]- 185.11832 142.5
[M+NH4]+ 204.15942 164.0
[M+K]+ 225.08876 148.5
[M+H-H2O]+ 169.12286 140.8
[M+HCOO]- 231.12380 164.2
[M+CH3COO]- 245.13945 179.1
[M+Na-2H]- 207.10027 147.0
[M]+ 186.12505 146.1
[M]- 186.12615 146.1
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

patents stripe