CID 10107729

Restrictinol

Structural Information

Molecular Formula
C17H28O3
SMILES
CCC/C=C/C=C/C=C(\C)/[C@H]1[C@@H]([C@H]([C@H](CO1)C)OC)O
InChI
InChI=1S/C17H28O3/c1-5-6-7-8-9-10-11-13(2)17-15(18)16(19-4)14(3)12-20-17/h7-11,14-18H,5-6,12H2,1-4H3/b8-7+,10-9+,13-11+/t14-,15+,16-,17-/m0/s1
InChIKey
IELGCWWOAQLDSS-SNXBFERDSA-N
Compound name
(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.20386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.211136 171.1
[M+Na]+ 303.193078 175.4
[M-H]- 279.196584 172.8
[M+NH4]+ 298.237683 185.7
[M+K]+ 319.167018 172.4
[M+H-H2O]+ 263.201120 165.1
[M+HCOO]- 325.202061 186.6
[M+CH3COO]- 339.217711 200.1
[M+Na-2H]- 301.178526 169.5
[M]+ 280.20331142 171.0
[M]- 280.20440858 171.0
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.