CID 9859016

Furfuryl palmitate

Structural Information

Molecular Formula
C21H36O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=CC=CO1
InChI
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3
InChIKey
SLLQRHYFOLOLLS-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

336.26645 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.27373 191.8
[M+Na]+ 359.25567 194.0
[M-H]- 335.25917 193.6
[M+NH4]+ 354.30027 205.8
[M+K]+ 375.22961 191.5
[M+H-H2O]+ 319.26371 184.0
[M+HCOO]- 381.26465 211.9
[M+CH3COO]- 395.28030 212.5
[M+Na-2H]- 357.24112 190.8
[M]+ 336.26590 200.2
[M]- 336.26700 200.2
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.