CID 118599849

Decanoic acid, 2-hexyl-, 6-oxohexyl ester-1

Structural Information

Molecular Formula
C22H44O3
SMILES
CCCCCCCCC(CCCCCC)C(=O)OCCCCCCO
InChI
InChI=1S/C22H44O3/c1-3-5-7-9-10-14-18-21(17-13-8-6-4-2)22(24)25-20-16-12-11-15-19-23/h21,23H,3-20H2,1-2H3
InChIKey
UXIKXWBASZQWHX-UHFFFAOYSA-N
Compound name
6-hydroxyhexyl 2-hexyldecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

356.32904 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.33632 197.5
[M+Na]+ 379.31826 203.2
[M+NH4]+ 374.36286 201.5
[M+K]+ 395.29220 195.8
[M-H]- 355.32176 194.6
[M+Na-2H]- 377.30371 195.6
[M]+ 356.32849 197.0
[M]- 356.32959 197.0
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