CID 10450095

6z,8e-tricosdien-4,19-diynoic acid

Structural Information

Molecular Formula
C23H34O2
SMILES
CCCC#CCCCCCCCCC/C=C/C=C\C#CCCC(=O)O
InChI
InChI=1S/C23H34O2/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/h15-18H,2-3,6-14,21-22H2,1H3,(H,24,25)/b16-15+,18-17-
InChIKey
ACLJSIICSRNJNW-FQASWMIKSA-N
Compound name
(6Z,8E)-tricosa-6,8-dien-4,19-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2559 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 183.7
[M+Na]+ 365.24512 190.0
[M-H]- 341.24862 182.5
[M+NH4]+ 360.28972 192.6
[M+K]+ 381.21906 183.6
[M+H-H2O]+ 325.25316 169.4
[M+HCOO]- 387.25410 189.9
[M+CH3COO]- 401.26975 226.9
[M+Na-2H]- 363.23057 180.3
[M]+ 342.25535 178.3
[M]- 342.25645 178.3
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.