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]+ 213.148526 152.8
[M+Na]+ 235.130468 157.7
[M-H]- 211.133974 150.9
[M+NH4]+ 230.175073 170.9
[M+K]+ 251.104408 155.6
[M+H-H2O]+ 195.138510 147.5
[M+HCOO]- 257.139451 172.5
[M+CH3COO]- 271.155101 185.5
[M+Na-2H]- 233.115916 153.7
[M]+ 212.14070142 155.1
[M]- 212.14179858 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.