CID 87749800

Schembl9639261

Structural Information

Molecular Formula

C₁₇H₃₆O₈

SMILES

CCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C17H36O8/c1-2-4-19-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20-5-3-18/h18H,2-17H2,1H3

InChIKey

KZOBAZOHRYMZQD-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 368.24103 Da
Monoisotopic Mass: -0.6
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]+	369.248306	187.5
[M+Na]+	391.230248	188.9
[M-H]-	367.233754	183.9
[M+NH4]+	386.274853	200.6
[M+K]+	407.204188	189.2
[M+H-H2O]+	351.238290	179.3
[M+HCOO]-	413.239231	216.0
[M+CH3COO]-	427.254881	213.1
[M+Na-2H]-	389.215696	189.1
[M]+	368.24048142	202.7
[M]-	368.24157858	202.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe