CID 56935920

Tetradecyl 2,6,10,14-tetramethyl-pentadecanoate

Structural Information

Molecular Formula
C33H66O2
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-28-35-33(34)32(6)27-21-26-31(5)25-20-24-30(4)23-19-22-29(2)3/h29-32H,7-28H2,1-6H3
InChIKey
LIGFRGHIOUYNDC-UHFFFAOYSA-N
Compound name
tetradecyl 2,6,10,14-tetramethylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.5063 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.51358 240.6
[M+Na]+ 517.49552 248.6
[M-H]- 493.49902 228.3
[M+NH4]+ 512.54012 245.5
[M+K]+ 533.46946 250.7
[M+H-H2O]+ 477.50356 242.9
[M+HCOO]- 539.50450 239.6
[M+CH3COO]- 553.52015 252.9
[M+Na-2H]- 515.48097 228.3
[M]+ 494.50575 242.0
[M]- 494.50685 242.0
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.