CID 9543644

6,9,12,15,18-tetracosapentaynoic acid

Structural Information

Molecular Formula
C24H28O2
SMILES
CCCCCC#CCC#CCC#CCC#CCC#CCCCCC(=O)O
InChI
InChI=1S/C24H28O2/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
HNYHXNBZIXQWBA-UHFFFAOYSA-N
Compound name
tetracosa-6,9,12,15,18-pentaynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.20892 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21620 151.0
[M+Na]+ 371.19814 153.7
[M-H]- 347.20164 153.8
[M+NH4]+ 366.24274 152.6
[M+K]+ 387.17208 152.0
[M+H-H2O]+ 331.20618 147.4
[M+HCOO]- 393.20712 150.4
[M+CH3COO]- 407.22277 251.6
[M+Na-2H]- 369.18359 148.4
[M]+ 348.20837 148.7
[M]- 348.20947 148.7
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.