CID 174453

5-decenoic acid, 1-butyl-5-carboxypentyl ester

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCC=CCCCC(=O)OC(CCCC)CCCCC(=O)O
InChI
InChI=1S/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h8-9,18H,3-7,10-17H2,1-2H3,(H,21,22)
InChIKey
OKPRNPZBHHJXBQ-UHFFFAOYSA-N
Compound name
6-dec-5-enoyloxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

340.26135 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 189.7
[M+Na]+ 363.25057 195.1
[M+NH4]+ 358.29517 199.5
[M+K]+ 379.22451 189.5
[M-H]- 339.25407 185.7
[M+Na-2H]- 361.23602 187.3
[M]+ 340.26080 188.7
[M]- 340.26190 188.7
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

patents stripe