CID 93774

57699-45-3

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)(C)OC1=CC=C(C=C1)C=O

InChI

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

InChIKey

VWSFZYXXQDKXKQ-UHFFFAOYSA-N

Compound name

4-[(2-methylpropan-2-yl)oxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 412
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]+	179.106656	137.6
[M+Na]+	201.088598	146.0
[M-H]-	177.092104	141.7
[M+NH4]+	196.133203	158.2
[M+K]+	217.062538	144.5
[M+H-H2O]+	161.096640	132.5
[M+HCOO]-	223.097581	160.7
[M+CH3COO]-	237.113231	181.3
[M+Na-2H]-	199.074046	144.9
[M]+	178.09883142	140.3
[M]-	178.09992858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe