CID 80614

6324-78-3

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CC1=CC=C(C=C1)OCC(OC)OC

InChI

InChI=1S/C11H16O3/c1-9-4-6-10(7-5-9)14-8-11(12-2)13-3/h4-7,11H,8H2,1-3H3

InChIKey

QRKQKOWDVJJBOE-UHFFFAOYSA-N

Compound name

1-(2,2-dimethoxyethoxy)-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 196.10994 Da
Monoisotopic Mass: 2.1
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	142.3
[M+Na]+	219.09916	154.6
[M+NH4]+	214.14376	150.5
[M+K]+	235.07310	148.6
[M-H]-	195.10266	144.1
[M+Na-2H]-	217.08461	148.7
[M]+	196.10939	144.5
[M]-	196.11049	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe