CID 10262464

123013-13-8

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C=O)OC

InChI

InChI=1S/C12H16O3/c1-12(2,3)10-6-9(15-4)5-8(7-13)11(10)14/h5-7,14H,1-4H3

InChIKey

BSOBIHUVDDETHG-UHFFFAOYSA-N

Compound name

3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 208.10994 Da
Monoisotopic Mass: 3.2
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]+	209.11722	146.0
[M+Na]+	231.09916	158.3
[M+NH4]+	226.14376	153.2
[M+K]+	247.07310	153.2
[M-H]-	207.10266	146.6
[M+Na-2H]-	229.08461	151.2
[M]+	208.10939	147.9
[M]-	208.11049	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe