CID 5273617

2-furanacetic acid, tetrahydro-5-tetradecyl-, methyl ester

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCCCCCCCCC1CCC(O1)CC(=O)OC
InChI
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(24-19)18-21(22)23-2/h19-20H,3-18H2,1-2H3
InChIKey
YGQMDFMXPBTIRS-UHFFFAOYSA-N
Compound name
methyl 2-(5-tetradecyloxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.29776 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.30504 194.3
[M+Na]+ 363.28698 195.4
[M-H]- 339.29048 195.7
[M+NH4]+ 358.33158 208.3
[M+K]+ 379.26092 193.3
[M+H-H2O]+ 323.29502 187.0
[M+HCOO]- 385.29596 211.5
[M+CH3COO]- 399.31161 214.5
[M+Na-2H]- 361.27243 190.8
[M]+ 340.29721 200.2
[M]- 340.29831 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

literature stripe

Patent stripe

No patent data available for this compound.