CID 56970106

(9r,10r)-heptadeca-4,6-diyne-1,3,9,10-tetrol

Structural Information

Molecular Formula
C17H28O4
SMILES
CCCCCCC[C@H]([C@@H](CC#CC#CC(CCO)O)O)O
InChI
InChI=1S/C17H28O4/c1-2-3-4-5-8-11-16(20)17(21)12-9-6-7-10-15(19)13-14-18/h15-21H,2-5,8,11-14H2,1H3/t15?,16-,17-/m1/s1
InChIKey
LCIWMPLHPOZRFX-YJEKIOLLSA-N
Compound name
(9R,10R)-heptadeca-4,6-diyne-1,3,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.19876 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20604 175.6
[M+Na]+ 319.18798 181.3
[M-H]- 295.19148 172.3
[M+NH4]+ 314.23258 184.0
[M+K]+ 335.16192 177.6
[M+H-H2O]+ 279.19602 162.2
[M+HCOO]- 341.19696 178.7
[M+CH3COO]- 355.21261 217.1
[M+Na-2H]- 317.17343 171.3
[M]+ 296.19821 167.5
[M]- 296.19931 167.5
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.