CID 171119428

Callyspongendiol

Structural Information

Molecular Formula
C30H44O2
SMILES
C#CC(CCCCCCCCCC#CCCCC#CCCCCCC/C=C/C(C#C)O)O
InChI
InChI=1S/C30H44O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,25,27,29-32H,5-7,12-24,26,28H2/b27-25+
InChIKey
CVIVQSQJECBERF-IMVLJIQESA-N
Compound name
(E)-triacont-4-en-1,12,17,29-tetrayne-3,28-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.33414 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.34142 173.8
[M+Na]+ 459.32336 178.0
[M-H]- 435.32686 176.7
[M+NH4]+ 454.36796 176.4
[M+K]+ 475.29730 174.6
[M+H-H2O]+ 419.33140 166.4
[M+HCOO]- 481.33234 172.9
[M+CH3COO]- 495.34799 250.2
[M+Na-2H]- 457.30881 169.5
[M]+ 436.33359 169.6
[M]- 436.33469 169.6
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.