CID 10357825

Callyspongenol b

Structural Information

Molecular Formula
C22H26O
SMILES
C#C/C=C\CCCCCCC#CC#CCCC/C=C\C#CCO
InChI
InChI=1S/C22H26O/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,5-10,15-17,22H2/b4-3-,19-18-
InChIKey
QZOMSTWCVSLZGH-WLXZLGQWSA-N
Compound name
(4Z,19Z)-docosa-4,19-dien-2,9,11,21-tetrayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20564 168.3
[M+Na]+ 329.18758 173.3
[M-H]- 305.19108 171.6
[M+NH4]+ 324.23218 171.9
[M+K]+ 345.16152 169.9
[M+H-H2O]+ 289.19562 160.9
[M+HCOO]- 351.19656 168.3
[M+CH3COO]- 365.21221 245.9
[M+Na-2H]- 327.17303 165.0
[M]+ 306.19781 163.7
[M]- 306.19891 163.7
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.