CID 10448021

Refchem:917912

Structural Information

Molecular Formula
C22H28O
SMILES
C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO
InChI
InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-
InChIKey
OZOLQBVPEIWKPL-ARJAWSKDSA-N
Compound name
(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.21402 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22130 167.3
[M+Na]+ 331.20324 172.3
[M-H]- 307.20674 170.6
[M+NH4]+ 326.24784 170.9
[M+K]+ 347.17718 169.0
[M+H-H2O]+ 291.21128 160.0
[M+HCOO]- 353.21222 167.3
[M+CH3COO]- 367.22787 246.0
[M+Na-2H]- 329.18869 164.2
[M]+ 308.21347 162.9
[M]- 308.21457 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.