CID 100549

1-(5-(tetradecyloxy)-2-furanyl)ethanone

Structural Information

Molecular Formula
C20H34O3
SMILES
CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)C
InChI
InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-20-16-15-19(23-20)18(2)21/h15-16H,3-14,17H2,1-2H3
InChIKey
MMOTUYBUAZJWRU-UHFFFAOYSA-N
Compound name
1-(5-tetradecoxyfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

322.2508 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 186.4
[M+Na]+ 345.24002 189.9
[M-H]- 321.24352 188.8
[M+NH4]+ 340.28462 201.2
[M+K]+ 361.21396 187.6
[M+H-H2O]+ 305.24806 179.1
[M+HCOO]- 367.24900 206.8
[M+CH3COO]- 381.26465 211.4
[M+Na-2H]- 343.22547 185.3
[M]+ 322.25025 194.9
[M]- 322.25135 194.9
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