CID 52921845

5z,9z-nonacosadienoic acid

Structural Information

Molecular Formula
C29H54O2
SMILES
CCCCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C29H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h20-21,24-25H,2-19,22-23,26-28H2,1H3,(H,30,31)/b21-20-,25-24-
InChIKey
NZYGRGYXHPUIHY-GPIXMANTSA-N
Compound name
(5Z,9Z)-nonacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.41238 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.41966 224.2
[M+Na]+ 457.40160 222.1
[M-H]- 433.40510 218.7
[M+NH4]+ 452.44620 220.4
[M+K]+ 473.37554 214.6
[M+H-H2O]+ 417.40964 215.8
[M+HCOO]- 479.41058 233.2
[M+CH3COO]- 493.42623 234.0
[M+Na-2H]- 455.38705 217.4
[M]+ 434.41183 232.2
[M]- 434.41293 232.2
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.