CID 79433

Tetradecyl ether

Structural Information

Molecular Formula
C28H58O
SMILES
CCCCCCCCCCCCCCOCCCCCCCCCCCCCC
InChI
InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
HANWHVWXFQSQGJ-UHFFFAOYSA-N
Compound name
1-tetradecoxytetradecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

10114
Patents

410.44876 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.45604 220.4
[M+Na]+ 433.43798 218.5
[M-H]- 409.44148 216.4
[M+NH4]+ 428.48258 231.4
[M+K]+ 449.41192 212.9
[M+H-H2O]+ 393.44602 211.7
[M+HCOO]- 455.44696 237.1
[M+CH3COO]- 469.46261 234.9
[M+Na-2H]- 431.42343 215.7
[M]+ 410.44821 231.6
[M]- 410.44931 231.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe