CID 3015692

Ethyl hexadecyl carbonate

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCCCOC(=O)OCC
InChI
InChI=1S/C19H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21-4-2/h3-18H2,1-2H3
InChIKey
VOLKWMGYUIZMAD-UHFFFAOYSA-N
Compound name
ethyl hexadecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

314.2821 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.289376 186.8
[M+Na]+ 337.271318 188.7
[M-H]- 313.274824 184.7
[M+NH4]+ 332.315923 201.6
[M+K]+ 353.245258 186.4
[M+H-H2O]+ 297.279360 179.6
[M+HCOO]- 359.280301 206.2
[M+CH3COO]- 373.295951 210.7
[M+Na-2H]- 335.256766 185.6
[M]+ 314.28155142 195.9
[M]- 314.28264858 195.9
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