CID 9995097

Dehydroisophonochalynol

Structural Information

Molecular Formula
C22H22O
SMILES
C#C/C=C\CCCCC#CC#CC#CCCC/C=C\C#CCO
InChI
InChI=1S/C22H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,18-19,23H,5-8,15-17,22H2/b4-3-,19-18-
InChIKey
VWHUYEBWDMFMLW-WLXZLGQWSA-N
Compound name
(4Z,19Z)-docosa-4,19-dien-2,9,11,13,21-pentayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.16705 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17433 150.8
[M+Na]+ 325.15627 153.7
[M-H]- 301.15977 153.7
[M+NH4]+ 320.20087 152.5
[M+K]+ 341.13021 151.8
[M+H-H2O]+ 285.16431 147.2
[M+HCOO]- 347.16525 150.3
[M+CH3COO]- 361.18090 251.1
[M+Na-2H]- 323.14172 148.3
[M]+ 302.16650 148.4
[M]- 302.16760 148.4
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.