CID 58079716

Proparyl-peg4-methane

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

COCCOCCOCCOCC#C

InChI

InChI=1S/C10H18O4/c1-3-4-12-7-8-14-10-9-13-6-5-11-2/h1H,4-10H2,2H3

InChIKey

TYHJQPGPBRVOJZ-UHFFFAOYSA-N

Compound name

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 202.12051 Da
Monoisotopic Mass: -0.2
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]+	203.12779	138.1
[M+Na]+	225.10973	146.2
[M-H]-	201.11323	137.3
[M+NH4]+	220.15433	155.4
[M+K]+	241.08367	145.7
[M+H-H2O]+	185.11777	126.7
[M+HCOO]-	247.11871	156.3
[M+CH3COO]-	261.13436	193.2
[M+Na-2H]-	223.09518	143.2
[M]+	202.11996	140.3
[M]-	202.12106	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe