CID 88411

2-(hexyloxy)ethyl laurate

Structural Information

Molecular Formula
C20H40O3
SMILES
CCCCCCCCCCCC(=O)OCCOCCCCCC
InChI
InChI=1S/C20H40O3/c1-3-5-7-9-10-11-12-13-14-16-20(21)23-19-18-22-17-15-8-6-4-2/h3-19H2,1-2H3
InChIKey
CYESQOILIGXMLD-UHFFFAOYSA-N
Compound name
2-hexoxyethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

328.29776 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 191.0
[M+Na]+ 351.28698 192.5
[M-H]- 327.29048 188.7
[M+NH4]+ 346.33158 205.2
[M+K]+ 367.26092 189.9
[M+H-H2O]+ 311.29502 183.6
[M+HCOO]- 373.29596 210.1
[M+CH3COO]- 387.31161 214.3
[M+Na-2H]- 349.27243 189.3
[M]+ 328.29721 200.6
[M]- 328.29831 200.6
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.