CID 22728722

849677-06-1

Structural Information

Molecular Formula

C₁₂H₁₈O₅

SMILES

C1=CC(=CC=C1OCCO)OCCOCCO

InChI

InChI=1S/C12H18O5/c13-5-7-15-9-10-17-12-3-1-11(2-4-12)16-8-6-14/h1-4,13-14H,5-10H2

InChIKey

BPNUQIRNZYOASC-UHFFFAOYSA-N

Compound name

2-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 242.11542 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]+	243.122696	153.1
[M+Na]+	265.104638	158.8
[M-H]-	241.108144	153.4
[M+NH4]+	260.149243	169.1
[M+K]+	281.078578	157.1
[M+H-H2O]+	225.112680	146.4
[M+HCOO]-	287.113621	174.7
[M+CH3COO]-	301.129271	186.5
[M+Na-2H]-	263.090086	158.1
[M]+	242.11487142	157.9
[M]-	242.11596858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe