CID 7021458

127657-97-0

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

COC(COCC1=CC=CC=C1)OC

InChI

InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

InChIKey

QITBBLPNYKECAZ-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 196.10994 Da
Monoisotopic Mass: 1.4
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	142.9
[M+Na]+	219.09916	154.8
[M+NH4]+	214.14376	151.0
[M+K]+	235.07310	148.6
[M-H]-	195.10266	144.5
[M+Na-2H]-	217.08461	149.5
[M]+	196.10939	145.0
[M]-	196.11049	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe