CID 78008

(1,1-dimethoxyethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C1=CC=CC=C1)(OC)OC

InChI

InChI=1S/C10H14O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

XKSUVRWJZCEYQQ-UHFFFAOYSA-N

Compound name

1,1-dimethoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9469
Patents: 166.09938 Da
Monoisotopic Mass: 2.7
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]+	167.106656	135.0
[M+Na]+	189.088598	142.5
[M-H]-	165.092104	138.8
[M+NH4]+	184.133203	155.8
[M+K]+	205.062538	141.9
[M+H-H2O]+	149.096640	129.7
[M+HCOO]-	211.097581	158.2
[M+CH3COO]-	225.113231	178.8
[M+Na-2H]-	187.074046	143.5
[M]+	166.09883142	137.8
[M]-	166.09992858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe