CID 95373

Oxolan-2-ylmethyl hexadecanoate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1CCCO1
InChI
InChI=1S/C21H40O3/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/h20H,2-19H2,1H3
InChIKey
CUKYEOCBCKJPPB-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

340.29776 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.305036 194.8
[M+Na]+ 363.286978 194.9
[M-H]- 339.290484 195.8
[M+NH4]+ 358.331583 208.5
[M+K]+ 379.260918 192.8
[M+H-H2O]+ 323.295020 187.1
[M+HCOO]- 385.295961 212.0
[M+CH3COO]- 399.311611 213.3
[M+Na-2H]- 361.272426 191.9
[M]+ 340.29721142 200.3
[M]- 340.29830858 200.3
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

patents stripe