CID 84113

Lauryl laurate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
CYUUZGXOQDCCGH-UHFFFAOYSA-N
Compound name
dodecyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1502
Patents

368.36542 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 205.9
[M+Na]+ 391.35464 205.8
[M-H]- 367.35814 202.9
[M+NH4]+ 386.39924 218.6
[M+K]+ 407.32858 201.6
[M+H-H2O]+ 351.36268 198.0
[M+HCOO]- 413.36362 223.4
[M+CH3COO]- 427.37927 224.2
[M+Na-2H]- 389.34009 202.1
[M]+ 368.36487 215.6
[M]- 368.36597 215.6
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