CID 56935918

We(13:0(11me)/15:0(2me,6me,10me,14me))

Structural Information

Molecular Formula
C33H66O2
SMILES
CCC(C)CCCCCCCCCCOC(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C33H66O2/c1-8-29(4)21-15-13-11-9-10-12-14-16-27-35-33(34)32(7)26-19-25-31(6)24-18-23-30(5)22-17-20-28(2)3/h28-32H,8-27H2,1-7H3
InChIKey
KYZIFOCLIUPRDX-UHFFFAOYSA-N
Compound name
11-methyltridecyl 2,6,10,14-tetramethylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.5063 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.51358 239.5
[M+Na]+ 517.49552 248.1
[M-H]- 493.49902 228.9
[M+NH4]+ 512.54012 246.1
[M+K]+ 533.46946 250.7
[M+H-H2O]+ 477.50356 242.5
[M+HCOO]- 539.50450 236.3
[M+CH3COO]- 553.52015 253.7
[M+Na-2H]- 515.48097 228.0
[M]+ 494.50575 241.1
[M]- 494.50685 241.1
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

No patent data available for this compound.