CID 3085718

P-tert-butylphenoxyacetaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₁₄H₂₂O₃

SMILES

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

InChI

InChI=1S/C14H22O3/c1-14(2,3)11-6-8-12(9-7-11)17-10-13(15-4)16-5/h6-9,13H,10H2,1-5H3

InChIKey

RMRIGZDUZFDJNP-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-(2,2-dimethoxyethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 238.15689 Da
Monoisotopic Mass: 3.4
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]+	239.164166	156.4
[M+Na]+	261.146108	162.8
[M-H]-	237.149614	159.9
[M+NH4]+	256.190713	174.5
[M+K]+	277.120048	162.2
[M+H-H2O]+	221.154150	150.3
[M+HCOO]-	283.155091	177.4
[M+CH3COO]-	297.170741	194.1
[M+Na-2H]-	259.131556	160.8
[M]+	238.15634142	161.7
[M]-	238.15743858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe