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: 357
Patents: 316.26135 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.26863	184.6
[M+Na]+	339.25057	186.8
[M-H]-	315.25407	182.6
[M+NH4]+	334.29517	199.2
[M+K]+	355.22451	185.2
[M+H-H2O]+	299.25861	177.3
[M+HCOO]-	361.25955	204.6
[M+CH3COO]-	375.27520	210.2
[M+Na-2H]-	337.23602	184.1
[M]+	316.26080	194.8
[M]-	316.26190	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe