CID 84582

Trideceth-2

Structural Information

Molecular Formula

C₁₇H₃₆O₃

SMILES

CCCCCCCCCCCCCOCCOCCO

InChI

InChI=1S/C17H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-16-17-20-15-13-18/h18H,2-17H2,1H3

InChIKey

RTRMBXZHMWADJB-UHFFFAOYSA-N

Compound name

2-(2-tridecoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 73
Patents: 288.26645 Da
Monoisotopic Mass: 5.5
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]+	289.27373	178.2
[M+Na]+	311.25567	180.3
[M-H]-	287.25917	174.8
[M+NH4]+	306.30027	193.3
[M+K]+	327.22961	177.7
[M+H-H2O]+	271.26371	171.3
[M+HCOO]-	333.26465	197.5
[M+CH3COO]-	347.28030	203.5
[M+Na-2H]-	309.24112	178.9
[M]+	288.26590	186.1
[M]-	288.26700	186.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe