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
3
Annotation Hits

0
References

176
Patents

382.38107 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.388346 211.3
[M+Na]+ 405.370288 210.5
[M-H]- 381.373794 208.1
[M+NH4]+ 400.414893 223.3
[M+K]+ 421.344228 206.6
[M+H-H2O]+ 365.378330 203.3
[M+HCOO]- 427.379271 227.5
[M+CH3COO]- 441.394921 227.9
[M+Na-2H]- 403.355736 205.6
[M]+ 382.38052142 220.6
[M]- 382.38161858 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