CID 174878

2-tetradecoxyethyl tetradecanoate

Structural Information

Molecular Formula
C30H60O3
SMILES
CCCCCCCCCCCCCCOCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C30H60O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-28-29-33-30(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
RHSNXMNVSLEULC-UHFFFAOYSA-N
Compound name
2-tetradecoxyethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

468.45425 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.46153 234.6
[M+Na]+ 491.44347 240.9
[M-H]- 467.44697 218.2
[M+NH4]+ 486.48807 234.3
[M+K]+ 507.41741 226.6
[M+H-H2O]+ 451.45151 225.3
[M+HCOO]- 513.45245 244.4
[M+CH3COO]- 527.46810 243.3
[M+Na-2H]- 489.42892 227.7
[M]+ 468.45370 236.2
[M]- 468.45480 236.2
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.