CID 9543643

6,9,12,15,18,21-tetracosahexaynoic acid

Structural Information

Molecular Formula
C24H24O2
SMILES
CCC#CCC#CCC#CCC#CCC#CCC#CCCCCC(=O)O
InChI
InChI=1S/C24H24O2/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/h2,5,8,11,14,17,20-23H2,1H3,(H,25,26)
InChIKey
NLJRNNBATXZRLC-UHFFFAOYSA-N
Compound name
tetracosa-6,9,12,15,18,21-hexaynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.17764 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18492 132.5
[M+Na]+ 367.16686 133.8
[M-H]- 343.17036 134.2
[M+NH4]+ 362.21146 133.2
[M+K]+ 383.14080 133.0
[M+H-H2O]+ 327.17490 131.2
[M+HCOO]- 389.17584 132.2
[M+CH3COO]- 403.19149 253.4
[M+Na-2H]- 365.15231 131.2
[M]+ 344.17709 131.7
[M]- 344.17819 131.7
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

No patent data available for this compound.