CID 9543603

4,8,11,14-eicosatetraynoic acid

Structural Information

Molecular Formula
C20H24O2
SMILES
CCCCCC#CCC#CCC#CCCC#CCCC(=O)O
InChI
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14-15,18-19H2,1H3,(H,21,22)
InChIKey
MFIOYGZHGRVPNB-UHFFFAOYSA-N
Compound name
icosa-4,8,11,14-tetraynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 167.2
[M+Na]+ 319.16686 172.2
[M-H]- 295.17036 170.5
[M+NH4]+ 314.21146 170.8
[M+K]+ 335.14080 169.3
[M+H-H2O]+ 279.17490 159.9
[M+HCOO]- 341.17584 167.1
[M+CH3COO]- 355.19149 245.4
[M+Na-2H]- 317.15231 163.9
[M]+ 296.17709 162.7
[M]- 296.17819 162.7
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

patents stripe