CID 5283281

1,9z,16-heptadecatrien-4,6-diyn-3,8-diol

Structural Information

Molecular Formula
C17H22O2
SMILES
C=CCCCCC/C=C\C(C#CC#CC(C=C)O)O
InChI
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16-19H,1-2,5-9H2/b14-10-
InChIKey
OLUQMFYBNOJBQQ-UVTDQMKNSA-N
Compound name
(9Z)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.162 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 171.4
[M+Na]+ 281.15122 178.7
[M-H]- 257.15472 170.0
[M+NH4]+ 276.19582 181.8
[M+K]+ 297.12516 173.2
[M+H-H2O]+ 241.15926 157.9
[M+HCOO]- 303.16020 177.1
[M+CH3COO]- 317.17585 215.1
[M+Na-2H]- 279.13667 168.4
[M]+ 258.16145 162.9
[M]- 258.16255 162.9
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.