CID 10316853

(e,16s)-16-methoxytricos-8-en-4,6,17,19-tetraynoic acid

Structural Information

Molecular Formula
C24H30O3
SMILES
CCCC#CC#C[C@H](CCCCCC/C=C/C#CC#CCCC(=O)O)OC
InChI
InChI=1S/C24H30O3/c1-3-4-5-14-17-20-23(27-2)21-18-15-12-10-8-6-7-9-11-13-16-19-22-24(25)26/h6-7,23H,3-4,8,10,12,15,18-19,21-22H2,1-2H3,(H,25,26)/b7-6+/t23-/m1/s1
InChIKey
IRMPPBDIAFAVBC-BMOUEYTDSA-N
Compound name
(E,16S)-16-methoxytricos-8-en-4,6,17,19-tetraynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.21948 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 170.9
[M+Na]+ 389.20870 175.5
[M-H]- 365.21220 174.0
[M+NH4]+ 384.25330 173.9
[M+K]+ 405.18264 172.5
[M+H-H2O]+ 349.21674 163.3
[M+HCOO]- 411.21768 170.4
[M+CH3COO]- 425.23333 247.7
[M+Na-2H]- 387.19415 166.9
[M]+ 366.21893 166.5
[M]- 366.22003 166.5
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.