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 171.1
[M+Na]+ 303.19308 175.4
[M-H]- 279.19658 172.8
[M+NH4]+ 298.23768 185.7
[M+K]+ 319.16702 172.4
[M+H-H2O]+ 263.20112 165.1
[M+HCOO]- 325.20206 186.6
[M+CH3COO]- 339.21771 200.1
[M+Na-2H]- 301.17853 169.5
[M]+ 280.20331 171.0
[M]- 280.20441 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.