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]+ 281.21114 171.3
[M+Na]+ 303.19308 180.3
[M+NH4]+ 298.23768 176.9
[M+K]+ 319.16702 174.2
[M-H]- 279.19658 172.3
[M+Na-2H]- 301.17853 171.5
[M]+ 280.20331 172.5
[M]- 280.20441 172.5
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.