CID 1475090

2725-53-3

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)C=O

InChI

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

InChIKey

ZVCQQLGWGRTXGC-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 27
References: 1149
Patents: 178.09938 Da
Monoisotopic Mass: 3.3
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	138.8
[M+Na]+	201.08860	151.5
[M+NH4]+	196.13320	146.8
[M+K]+	217.06254	145.8
[M-H]-	177.09210	139.9
[M+Na-2H]-	199.07405	145.0
[M]+	178.09883	141.0
[M]-	178.09993	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe