CID 87821

1-octacosene

Structural Information

Molecular Formula
C28H56
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-28H2,2H3
InChIKey
QEXZDYLACYKGOM-UHFFFAOYSA-N
Compound name
octacos-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2577
Patents

392.4382 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.44548 215.4
[M+Na]+ 415.42742 213.8
[M-H]- 391.43092 211.5
[M+NH4]+ 410.47202 227.1
[M+K]+ 431.40136 207.2
[M+H-H2O]+ 375.43546 207.1
[M+HCOO]- 437.43640 232.1
[M+CH3COO]- 451.45205 232.5
[M+Na-2H]- 413.41287 210.8
[M]+ 392.43765 224.4
[M]- 392.43875 224.4
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

patents stripe