CID 171118618

Ethyl-6s-hydroxy-2e,4e-decadienoate

Structural Information

Molecular Formula
C12H20O3
SMILES
CCCC[C@@H](/C=C/C=C/C(=O)OCC)O
InChI
InChI=1S/C12H20O3/c1-3-5-8-11(13)9-6-7-10-12(14)15-4-2/h6-7,9-11,13H,3-5,8H2,1-2H3/b9-6+,10-7+/t11-/m0/s1
InChIKey
XIIMOLHJRVDJNE-PLZNCBDESA-N
Compound name
ethyl (2E,4E,6S)-6-hydroxydeca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 152.8
[M+Na]+ 235.13047 157.7
[M-H]- 211.13397 150.9
[M+NH4]+ 230.17507 170.9
[M+K]+ 251.10441 155.6
[M+H-H2O]+ 195.13851 147.5
[M+HCOO]- 257.13945 172.5
[M+CH3COO]- 271.15510 185.5
[M+Na-2H]- 233.11592 153.7
[M]+ 212.14070 155.1
[M]- 212.14180 155.1
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.