CID 5282808

17,20-hexacosadienoic acid

Structural Information

Molecular Formula
C26H48O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h6-7,9-10H,2-5,8,11-25H2,1H3,(H,27,28)/b7-6+,10-9+
InChIKey
LXCFWFXRQOXBHW-AVQMFFATSA-N
Compound name
(17E,20E)-hexacosa-17,20-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

392.36542 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.37270 211.4
[M+Na]+ 415.35464 210.7
[M-H]- 391.35814 206.6
[M+NH4]+ 410.39924 222.2
[M+K]+ 431.32858 203.9
[M+H-H2O]+ 375.36268 203.6
[M+HCOO]- 437.36362 227.2
[M+CH3COO]- 451.37927 225.2
[M+Na-2H]- 413.34009 206.2
[M]+ 392.36487 218.3
[M]- 392.36597 218.3
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