CID 131769821

Chebi:196291

Structural Information

Molecular Formula
C20H31O4
SMILES
CCCCC/C=C\C=C\C(C/C=C\C/C=C\CCCC(=O)O)O[O]
InChI
InChI=1S/C20H31O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+
InChIKey
CUVDHYYMVDOGDE-RLZWZWKOSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.22223 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.22951 188.1
[M+Na]+ 358.21145 190.3
[M-H]- 334.21495 184.7
[M+NH4]+ 353.25605 201.1
[M+K]+ 374.18539 185.4
[M+H-H2O]+ 318.21949 181.3
[M+HCOO]- 380.22043 205.9
[M+CH3COO]- 394.23608 209.1
[M+Na-2H]- 356.19690 185.1
[M]+ 335.22168 193.5
[M]- 335.22278 193.5
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.