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]+ 273.20604 166.1
[M+Na]+ 295.18798 170.0
[M-H]- 271.19148 165.4
[M+NH4]+ 290.23258 182.9
[M+K]+ 311.16192 168.7
[M+H-H2O]+ 255.19602 163.4
[M+HCOO]- 317.19696 177.9
[M+CH3COO]- 331.21261 192.4
[M+Na-2H]- 293.17343 168.8
[M]+ 272.19821 165.3
[M]- 272.19931 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.