CID 229722

2050-25-1

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

C1=CC=C(C=C1)COCCOCCO

InChI

InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

LJVNVNLFZQFJHU-UHFFFAOYSA-N

Compound name

2-(2-phenylmethoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4011
Patents: 196.10994 Da
Monoisotopic Mass: 0.7
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]+	197.11722	143.4
[M+Na]+	219.09916	155.0
[M+NH4]+	214.14376	151.2
[M+K]+	235.07310	148.3
[M-H]-	195.10266	144.7
[M+Na-2H]-	217.08461	149.7
[M]+	196.10939	145.3
[M]-	196.11049	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe