CID 56935974

Dodecyl 10-methyl-dodecanoate

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCCCC(C)CC
InChI
InChI=1S/C25H50O2/c1-4-6-7-8-9-10-11-14-17-20-23-27-25(26)22-19-16-13-12-15-18-21-24(3)5-2/h24H,4-23H2,1-3H3
InChIKey
BJILWAAYHASFCQ-UHFFFAOYSA-N
Compound name
dodecyl 10-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.38107 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.38835 211.3
[M+Na]+ 405.37029 210.5
[M-H]- 381.37379 208.1
[M+NH4]+ 400.41489 223.3
[M+K]+ 421.34423 206.6
[M+H-H2O]+ 365.37833 203.3
[M+HCOO]- 427.37927 227.5
[M+CH3COO]- 441.39492 227.9
[M+Na-2H]- 403.35574 205.6
[M]+ 382.38052 220.6
[M]- 382.38162 220.6
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

No patent data available for this compound.