CID 171118617

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

Structural Information

Molecular Formula
C11H18O3
SMILES
CCCC[C@@H](/C=C/C=C/C(=O)OC)O
InChI
InChI=1S/C11H18O3/c1-3-4-7-10(12)8-5-6-9-11(13)14-2/h5-6,8-10,12H,3-4,7H2,1-2H3/b8-5+,9-6+/t10-/m0/s1
InChIKey
YTLQMZKEPBKFON-AVNQPTHFSA-N
Compound name
methyl (2E,4E,6S)-6-hydroxydeca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 148.1
[M+Na]+ 221.11482 153.5
[M-H]- 197.11832 146.4
[M+NH4]+ 216.15942 166.9
[M+K]+ 237.08876 151.6
[M+H-H2O]+ 181.12286 143.1
[M+HCOO]- 243.12380 168.2
[M+CH3COO]- 257.13945 182.5
[M+Na-2H]- 219.10027 149.6
[M]+ 198.12505 150.1
[M]- 198.12615 150.1
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.