CID 14955526

2-tert-butoxybenzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)(C)OC1=CC=CC=C1C=O

InChI

InChI=1S/C11H14O2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8H,1-3H3

InChIKey

NAGSWLQWNWNACQ-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 178.09938 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]+	179.10666	137.6
[M+Na]+	201.08860	146.0
[M-H]-	177.09210	141.7
[M+NH4]+	196.13320	158.2
[M+K]+	217.06254	144.5
[M+H-H2O]+	161.09664	132.5
[M+HCOO]-	223.09758	160.7
[M+CH3COO]-	237.11323	181.3
[M+Na-2H]-	199.07405	144.9
[M]+	178.09883	140.3
[M]-	178.09993	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe