CID 46886833

Rel-(3s,6r,7s,10r)-7,10-epoxy-3,7,11-trimethyldodec-1-ene-3,6,11-triol

Structural Information

Molecular Formula
C15H28O4
SMILES
C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@@H](CC[C@@](C)(C=C)O)O
InChI
InChI=1S/C15H28O4/c1-6-14(4,18)9-7-11(16)15(5)10-8-12(19-15)13(2,3)17/h6,11-12,16-18H,1,7-10H2,2-5H3/t11-,12-,14-,15+/m1/s1
InChIKey
HSXGLWCOJRXCCK-GBOPCIDUSA-N
Compound name
(1R,4S)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-5-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.19876 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 166.1
[M+Na]+ 295.187978 170.0
[M-H]- 271.191484 165.4
[M+NH4]+ 290.232583 182.9
[M+K]+ 311.161918 168.7
[M+H-H2O]+ 255.196020 163.4
[M+HCOO]- 317.196961 177.9
[M+CH3COO]- 331.212611 192.4
[M+Na-2H]- 293.173426 168.8
[M]+ 272.19821142 165.3
[M]- 272.19930858 165.3
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.