CID 489937

2-tricosa-14,16-diynylfuran

Structural Information

Molecular Formula
C27H42O
SMILES
CCCCCCC#CC#CCCCCCCCCCCCCCC1=CC=CO1
InChI
InChI=1S/C27H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28-27/h23,25-26H,2-6,11-22,24H2,1H3
InChIKey
MSWCCQSAWMTJOC-UHFFFAOYSA-N
Compound name
2-tricosa-14,16-diynylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.32358 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.33086 187.9
[M+Na]+ 405.31280 194.6
[M-H]- 381.31630 188.3
[M+NH4]+ 400.35740 196.2
[M+K]+ 421.28674 186.9
[M+H-H2O]+ 365.32084 171.8
[M+HCOO]- 427.32178 195.0
[M+CH3COO]- 441.33743 234.2
[M+Na-2H]- 403.29825 185.1
[M]+ 382.32303 184.6
[M]- 382.32413 184.6
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.