CID 3023695

11-methyldodecyl laurate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
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

No literature data available for this compound.

Patent stripe

patents stripe