CID 134812113

Octadeca-9z,17-dien-12,14-diyne-1,16-diol

Structural Information

Molecular Formula
C18H26O2
SMILES
C=CC(C#CC#CC/C=C\CCCCCCCCO)O
InChI
InChI=1S/C18H26O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,18-20H,1,3,5,7-9,11,13,15,17H2/b6-4-
InChIKey
ODKNULFBMLGPHW-XQRVVYSFSA-N
Compound name
(9Z)-octadeca-9,17-dien-12,14-diyne-1,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.19327 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 171.4
[M+Na]+ 297.18249 178.5
[M-H]- 273.18599 169.8
[M+NH4]+ 292.22709 181.5
[M+K]+ 313.15643 172.9
[M+H-H2O]+ 257.19053 157.8
[M+HCOO]- 319.19147 177.5
[M+CH3COO]- 333.20712 217.1
[M+Na-2H]- 295.16794 169.2
[M]+ 274.19272 164.1
[M]- 274.19382 164.1
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.