CID 9543594

7,10,13,16,19-docosapentaynoic acid

Structural Information

Molecular Formula
C22H24O2
SMILES
CCC#CCC#CCC#CCC#CCC#CCCCCCC(=O)O
InChI
InChI=1S/C22H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2,5,8,11,14,17-21H2,1H3,(H,23,24)
InChIKey
QABINHZYJUWZIA-UHFFFAOYSA-N
Compound name
docosa-7,10,13,16,19-pentaynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17764 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18492 150.7
[M+Na]+ 343.16686 153.5
[M-H]- 319.17036 153.5
[M+NH4]+ 338.21146 152.3
[M+K]+ 359.14080 151.8
[M+H-H2O]+ 303.17490 147.1
[M+HCOO]- 365.17584 150.1
[M+CH3COO]- 379.19149 251.2
[M+Na-2H]- 341.15231 148.2
[M]+ 320.17709 148.3
[M]- 320.17819 148.3
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

No patent data available for this compound.