CID 11255559

Laureth-2 acetate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCOCCOCCOC(=O)C
InChI
InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17-22-18(2)19/h3-17H2,1-2H3
InChIKey
QXRCPJZJWJTNCJ-UHFFFAOYSA-N
Compound name
2-(2-dodecoxyethoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

390
Patents

316.26135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 184.6
[M+Na]+ 339.250568 186.8
[M-H]- 315.254074 182.6
[M+NH4]+ 334.295173 199.2
[M+K]+ 355.224508 185.2
[M+H-H2O]+ 299.258610 177.3
[M+HCOO]- 361.259551 204.6
[M+CH3COO]- 375.275201 210.2
[M+Na-2H]- 337.236016 184.1
[M]+ 316.26080142 194.8
[M]- 316.26189858 194.8
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