CID 4166251

Furfuryl octadecanoate

Structural Information

Molecular Formula
C23H40O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CO1
InChI
InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h17-18,20H,2-16,19,21H2,1H3
InChIKey
LLZYPXWKSIVVJP-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 201.0
[M+Na]+ 387.28698 202.3
[M-H]- 363.29048 202.4
[M+NH4]+ 382.33158 213.8
[M+K]+ 403.26092 199.3
[M+H-H2O]+ 347.29502 192.7
[M+HCOO]- 409.29596 220.4
[M+CH3COO]- 423.31161 218.4
[M+Na-2H]- 385.27243 198.8
[M]+ 364.29721 210.1
[M]- 364.29831 210.1
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.