CID 1780

5,8,11,14-eicosatetraynoic acid

Structural Information

Molecular Formula
C20H24O2
SMILES
CCCCCC#CCC#CCC#CCC#CCCCC(=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/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKey
MGLDCXPLYOWQRP-UHFFFAOYSA-N
Compound name
icosa-5,8,11,14-tetraynoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

613
References

1811
Patents

296.17764 Da
Monoisotopic Mass

5.3
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

literature stripe

Patent stripe

patents stripe