CID 119003

Decyl laurate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCC(=O)OCCCCCCCCCC
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-11-13-14-16-18-20-22(23)24-21-19-17-15-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
RAPXDXJBAYUBHI-UHFFFAOYSA-N
Compound name
decyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1783
Patents

340.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 194.2
[M+Na]+ 363.32336 201.3
[M+NH4]+ 358.36796 199.3
[M+K]+ 379.29730 192.3
[M-H]- 339.32686 192.7
[M+Na-2H]- 361.30881 193.8
[M]+ 340.33359 194.4
[M]- 340.33469 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe